A12737
TL;DR: A12737 (CAS 1127442-82-3) is a chemical compound with molecular formula C25H19N3O3 and molecular weight 409.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide
| Molecular Formula | C25H19N3O3 |
|---|---|
| Molecular Weight | 409.14 g/mol |
| LogP | 3.7986 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.14264 |
| Heavy Atoms | 31 |
| Complexity | 1245.4216 |
Chemical Identifiers
| CAS Number | 1127442-82-3 |
|---|---|
| SMILES | C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6 |
Product Overview
A12737 (CAS 1127442-82-3), with molecular formula C25H19N3O3 and molecular weight 409.14 g/mol. IUPAC: 4-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide.
Chemical Property Profile of A12737
Property Insights of A12737
The XLogP value of 3.7986 indicates that A12737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for A12737. Following Lipinski's Rule of Five, A12737 has 1 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 A12737?
The CAS number of A12737 is 1127442-82-3.
What is the molecular formula of A12737?
The molecular formula of A12737 is C25H19N3O3.
What is the molecular weight of A12737?
The molecular weight of A12737 is 409.14 g/mol.
Where can I buy A12737?
You can request a quote for A12737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A12737?
Yes, KEHONG BIO provides custom synthesis services for A12737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.