AN-655/13943018
TL;DR: AN-655/13943018 (CAS 354776-66-2) is a chemical compound with molecular formula C18H13BrClFN4OS and molecular weight 465.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-6-(2-chloro-6-fluorophenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13943018, 10-bromo-6-(2-chloro-6-fluorophenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 10-bromo-6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C18H13BrClFN4OS |
|---|---|
| Molecular Weight | 465.97 g/mol |
| LogP | 5.7087 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.9666 |
| Heavy Atoms | 27 |
| Complexity | 1002.397 |
Chemical Identifiers
| CAS Number | 354776-66-2 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=C(C=CC=C4Cl)F)N=N1 |
Product Overview
AN-655/13943018 (CAS 354776-66-2), with molecular formula C18H13BrClFN4OS and molecular weight 465.97 g/mol. IUPAC: 10-bromo-6-(2-chloro-6-fluorophenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13943018
Property Insights of AN-655/13943018
The XLogP value of 5.7087 indicates that AN-655/13943018 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-655/13943018 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/13943018 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13943018?
The CAS number of AN-655/13943018 is 354776-66-2.
What is the molecular formula of AN-655/13943018?
The molecular formula of AN-655/13943018 is C18H13BrClFN4OS.
What is the molecular weight of AN-655/13943018?
The molecular weight of AN-655/13943018 is 465.97 g/mol.
Where can I buy AN-655/13943018?
You can request a quote for AN-655/13943018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13943018?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13943018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.