1-Benzhydrylazetan-3-ol - CAS 18621-17-5
Catalog: |
BB014283 |
Product Name: |
1-Benzhydrylazetan-3-ol |
CAS: |
18621-17-5 |
Synonyms: |
1-(diphenylmethyl)-3-azetidinol; 1-benzhydrylazetidin-3-ol |
IUPAC Name: | 1-benzhydrylazetidin-3-ol |
Description: | 1-Benzhydrylazetan-3-ol (CAS# 18621-17-5) is used to identify inhibitors of CYP 3A4. |
Molecular Weight: | 239.31 |
Molecular Formula: | C16H17NO |
Canonical SMILES: | C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O |
InChI: | InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2 |
InChI Key: | MMAJXKGUZYDTHV-UHFFFAOYSA-N |
Boiling Point: | 353.8 °C at 760 mmHg |
Density: | 1.189 g/cm3 |
MDL: | MFCD00205109 |
LogP: | 2.39040 |
GHS Hazard Statement: | H314 (88.64%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021115560-A1 | New fyn and vegfr2 kinase inhibitors | 20191209 |
WO-2021116005-A1 | New fyn and vegfr2 kinase inhibitors | 20191209 |
CN-110724026-A | In-situ deoxygenation fluorination synthesis method based on alcohol compound and 18F radioactive labeling method | 20191118 |
CN-110437118-A | The preparation method of azaheterocyclic carboxylic acid intermediate and azetidine -3- carboxylic acid | 20190820 |
WO-2020228756-A1 | Inhibitor containing bicyclic derivative, preparation method therefor and use thereof | 20190514 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.131014166 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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