AN-655/14766082
TL;DR: AN-655/14766082 (CAS 426251-54-9) is a chemical compound with molecular formula C20H18BrFN4OS and molecular weight 460.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-3-butylsulfanyl-6-(3-fluorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/14766082, 10-bromo-3-butylsulfanyl-6-(3-fluorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 10-bromo-3-(butylsulfanyl)-6-(3-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C20H18BrFN4OS |
|---|---|
| Molecular Weight | 460.04 g/mol |
| LogP | 5.8355 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.03687 |
| Heavy Atoms | 28 |
| Complexity | 1003.68976 |
Chemical Identifiers
| CAS Number | 426251-54-9 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC(=CC=C4)F)N=N1 |
Product Overview
AN-655/14766082 (CAS 426251-54-9), with molecular formula C20H18BrFN4OS and molecular weight 460.04 g/mol. IUPAC: 10-bromo-3-butylsulfanyl-6-(3-fluorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/14766082
Property Insights of AN-655/14766082
The XLogP value of 5.8355 indicates that AN-655/14766082 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-655/14766082 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/14766082 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-655/14766082?
The CAS number of AN-655/14766082 is 426251-54-9.
What is the molecular formula of AN-655/14766082?
The molecular formula of AN-655/14766082 is C20H18BrFN4OS.
What is the molecular weight of AN-655/14766082?
The molecular weight of AN-655/14766082 is 460.04 g/mol.
Where can I buy AN-655/14766082?
You can request a quote for AN-655/14766082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14766082?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14766082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.