A4014/0171156
TL;DR: A4014/0171156 (CAS 1005128-20-0) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-benzyl-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylic acid
Also Known As: A4014/0171156, 3-benzyl-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid, 3-benzyl-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylic acid
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 3.0121 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 834.5996 |
Chemical Identifiers
| CAS Number | 1005128-20-0 |
|---|---|
| SMILES | CC12CC(C(C(=O)N1CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4O2 |
Product Overview
A4014/0171156 (CAS 1005128-20-0), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: 10-benzyl-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylic acid.
Chemical Property Profile of A4014/0171156
Property Insights of A4014/0171156
The XLogP value of 3.0121 indicates that A4014/0171156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A4014/0171156. Following Lipinski's Rule of Five, A4014/0171156 has 1 hydrogen bond donor(s) and 3 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 A4014/0171156?
The CAS number of A4014/0171156 is 1005128-20-0.
What is the molecular formula of A4014/0171156?
The molecular formula of A4014/0171156 is C20H19NO4.
What is the molecular weight of A4014/0171156?
The molecular weight of A4014/0171156 is 337.13 g/mol.
Where can I buy A4014/0171156?
You can request a quote for A4014/0171156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4014/0171156?
Yes, KEHONG BIO provides custom synthesis services for A4014/0171156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.