AN-655/13785021
TL;DR: AN-655/13785021 (CAS 353519-67-2) is a chemical compound with molecular formula C18H19BrN4OS and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-6-(4-methylcyclohex-3-en-1-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13785021, 10-bromo-6-(4-methylcyclohex-3-en-1-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 10-bromo-6-(4-methyl-3-cyclohexen-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C18H19BrN4OS |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 4.8998 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.0463 |
| Heavy Atoms | 25 |
| Complexity | 841.8209 |
Chemical Identifiers
| CAS Number | 353519-67-2 |
|---|---|
| SMILES | CC1=CCC(CC1)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC |
Product Overview
AN-655/13785021 (CAS 353519-67-2), with molecular formula C18H19BrN4OS and molecular weight 418.05 g/mol. IUPAC: 10-bromo-6-(4-methylcyclohex-3-en-1-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13785021
Property Insights of AN-655/13785021
The XLogP value of 4.8998 indicates that AN-655/13785021 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-655/13785021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/13785021 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-655/13785021?
The CAS number of AN-655/13785021 is 353519-67-2.
What is the molecular formula of AN-655/13785021?
The molecular formula of AN-655/13785021 is C18H19BrN4OS.
What is the molecular weight of AN-655/13785021?
The molecular weight of AN-655/13785021 is 418.05 g/mol.
Where can I buy AN-655/13785021?
You can request a quote for AN-655/13785021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13785021?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13785021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.