(S)-4-(Cbz-amino)-2-oxotetrahydrofuran - CAS 87219-29-2
Catalog: |
BB038339 |
Product Name: |
(S)-4-(Cbz-amino)-2-oxotetrahydrofuran |
CAS: |
87219-29-2 |
Synonyms: |
N-[(3S)-5-oxo-3-oxolanyl]carbamic acid (phenylmethyl) ester; benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate |
IUPAC Name: | benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate |
Description: | (S)-4-(Cbz-amino)-2-oxotetrahydrofuran (CAS# 87219-29-2) is a useful research chemical. |
Molecular Weight: | 235.24 |
Molecular Formula: | C12H13NO4 |
Canonical SMILES: | C1C(COC1=O)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1 |
InChI Key: | BNIBNUOPVTZWRT-JTQLQIEISA-N |
Boiling Point: | 466.087 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
Solubility: | >35.3 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00216569 |
LogP: | 1.61920 |
GHS Hazard Statement: | H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210064234-A | Cyclic peptide compound having Kras inhibitory action | 20191107 |
CN-105294531-A | Synthetic method of kainic acid | 20151208 |
CA-2843238-A1 | N-hetero-ring-substituted amide derivative | 20110729 |
CA-2843238-C | N-hetero-ring-substituted amide derivative | 20110729 |
CN-103827111-A | N-hetero-ring-substituted amide derivative | 20110729 |
PMID | Publication Date | Title | Journal |
14684308 | 20040105 | 3-D-QSAR of N-substituted 4-amino-3,3-dialkyl-2(3H)-furanone GABA receptor modulators using molecular field analysis and receptor surface modelling study | Bioorganic & medicinal chemistry letters |
12061884 | 20020620 | N-Substituted 4-amino-3,3-dipropyl-2(3H)-furanones: new positive allosteric modulators of the GABA(A) receptor sharing electrophysiological properties with the anticonvulsant loreclezole | Journal of medicinal chemistry |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.08445790 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.08445790 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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