AN-655/13786034
TL;DR: AN-655/13786034 (CAS 353519-77-4) is a chemical compound with molecular formula C16H12BrN5OS and molecular weight 400.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-3-methylsulfanyl-6-pyridin-4-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13786034, 10-bromo-3-methylsulfanyl-6-pyridin-4-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 10-bromo-3-(methylsulfanyl)-6-(4-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 10-bromo-3-(methylsulfanyl)-6-(pyridin-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C16H12BrN5OS |
|---|---|
| Molecular Weight | 400.99 g/mol |
| LogP | 3.9211 |
| Topological Polar Surface Area | 72.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.9946 |
| Heavy Atoms | 24 |
| Complexity | 892.8912 |
Chemical Identifiers
| CAS Number | 353519-77-4 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC=NC=C4)N=N1 |
Product Overview
AN-655/13786034 (CAS 353519-77-4), with molecular formula C16H12BrN5OS and molecular weight 400.99 g/mol. IUPAC: 10-bromo-3-methylsulfanyl-6-pyridin-4-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13786034
Property Insights of AN-655/13786034
The XLogP value of 3.9211 indicates that AN-655/13786034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13786034. Following Lipinski's Rule of Five, AN-655/13786034 has 1 hydrogen bond donor(s) and 7 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-655/13786034?
The CAS number of AN-655/13786034 is 353519-77-4.
What is the molecular formula of AN-655/13786034?
The molecular formula of AN-655/13786034 is C16H12BrN5OS.
What is the molecular weight of AN-655/13786034?
The molecular weight of AN-655/13786034 is 400.99 g/mol.
Where can I buy AN-655/13786034?
You can request a quote for AN-655/13786034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13786034?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13786034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.