AN-655/13672001
TL;DR: AN-655/13672001 (CAS 426244-55-5) is a chemical compound with molecular formula C18H15BrN4OS and molecular weight 414.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-6-(2-methylphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13672001, 10-bromo-6-(2-methylphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 10-BROMO-6-(2-METHYLPHENYL)-3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE, 10-bromo-6-(2-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-ylmethylsulfide
| Molecular Formula | C18H15BrN4OS |
|---|---|
| Molecular Weight | 414.01 g/mol |
| LogP | 4.83452 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.01498 |
| Heavy Atoms | 25 |
| Complexity | 950.10925 |
Chemical Identifiers
| CAS Number | 426244-55-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC |
Product Overview
AN-655/13672001 (CAS 426244-55-5), with molecular formula C18H15BrN4OS and molecular weight 414.01 g/mol. IUPAC: 10-bromo-6-(2-methylphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13672001
Property Insights of AN-655/13672001
The XLogP value of 4.83452 indicates that AN-655/13672001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, AN-655/13672001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/13672001 has 1 hydrogen bond donor(s) and 6 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-655/13672001?
The CAS number of AN-655/13672001 is 426244-55-5.
What is the molecular formula of AN-655/13672001?
The molecular formula of AN-655/13672001 is C18H15BrN4OS.
What is the molecular weight of AN-655/13672001?
The molecular weight of AN-655/13672001 is 414.01 g/mol.
Where can I buy AN-655/13672001?
You can request a quote for AN-655/13672001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13672001?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13672001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.