Fmoc-N-amido-PEG3-propionic acid - CAS 867062-95-1
Catalog: |
BB038040 |
Product Name: |
Fmoc-N-amido-PEG3-propionic acid |
CAS: |
867062-95-1 |
Synonyms: |
1-(9H-Fluoren-9-yl)-3-oxo-2,7,10,13-tetraoxa-4-azahexadecan-16-oic acid; Fmoc-N-amido-PEG3-acid; Fmoc-NH-PEG3-CH2CH2COOH; Fmoc-PEG3-propionic acid; 12-(Fmoc-amino)-4,7,10-trioxadodecanoic Acid; 5,8,11-Trioxa-2-azatetradecanedioic acid, 1-(9H-fluoren-9-ylmethyl) ester; N-Fmoc-12-amino-4,7,10-trioxadodecanoic acid; 12-[(9H-Fluorene-9-yl)methoxycarbonylamino]-4,7,10-trioxadodecanoic acid; N-Fmoc-12-amino-4,7,10-trioxadodecanoic acid |
Related CAS: | 850312-72-0 (polymer)
|
IUPAC Name: | 3-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoic acid |
Description: | Fmoc-NH-PEG3-CH2CH2COOH is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). |
Molecular Weight: | 443.49 |
Molecular Formula: | C24H29NO7 |
Canonical SMILES: | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCC(=O)O |
InChI: | InChI=1S/C24H29NO7/c26-23(27)9-11-29-13-15-31-16-14-30-12-10-25-24(28)32-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,25,28)(H,26,27) |
InChI Key: | CHIDDYZONKDHLG-UHFFFAOYSA-N |
Boiling Point: | 651.9±55.0 °C at 760 mmHg |
Melting Point: | 43-46°C |
Flash Point: | 348.0±31.5 °C |
Purity: | ≥95% |
Density: | 1.230±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Sparingly), Methanol (Slightly) |
Appearance: | Pale Yellow or Colorless Oily Matter |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD06656471 |
LogP: | 2.66 |
Vapor Pressure: | 0.0±2.1 mmHg at 25°C |
Publication Number | Title | Priority Date |
KR-20210095055-A | Heterochiral peptide-complex and composition for measuring nuclear magnetic resonance spectroscopy residual dipolar coupling containing self-assembled intermediates of Heterochiral peptide-complex | 20200122 |
US-2021221844-A1 | Heterochiral peptide-complex and composition for measuring nuclear magnetic resonance spectroscopy residual dipolar coupling containing self-assembled intermediates of heterochiral peptide-complex | 20200122 |
US-2021230217-A1 | Optimised compounds | 20171221 |
US-2017153257-A1 | Methods of estimating logd of tagged combinatorial library compounds | 20151009 |
WO-2017062973-A2 | Methods of estimating logd of tagged combinatorial library compounds | 20151009 |
Complexity: | 551 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 443.19440226 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 443.19440226 |
Rotatable Bond Count: | 15 |
Topological Polar Surface Area: | 103 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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