AN-9a
TL;DR: AN-9a (CAS 87896-35-3) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate
Also Known As: AN-9a, 2,3,4,5-Tetrahydro-4-phenyl-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-phenyl-, ethyl ester, ethyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate, Ethyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate
| Molecular Formula | C18H20N2O2 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.15247 |
| Heavy Atoms | 22 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 87896-35-3 |
|---|---|
| SMILES | CCOC(=O)C1CC(NC2=CC=CC=C2N1)C3=CC=CC=C3 |
| InChIKey | OPNRSRUBCMQEJA-UHFFFAOYSA-N |
Product Overview
AN-9a (CAS 87896-35-3), with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol. IUPAC: ethyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate.
Chemical Property Profile of AN-9a
Property Insights of AN-9a
The XLogP value of 3.9 indicates that AN-9a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, AN-9a exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-9a has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-9a?
The CAS number of AN-9a is 87896-35-3.
What is the molecular formula of AN-9a?
The molecular formula of AN-9a is C18H20N2O2.
What is the molecular weight of AN-9a?
The molecular weight of AN-9a is 296.15 g/mol.
Where can I buy AN-9a?
You can request a quote for AN-9a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-9a?
Yes, KEHONG BIO provides custom synthesis services for AN-9a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.