AN-655/13785017
TL;DR: AN-655/13785017 (CAS 353519-65-0) is a chemical compound with molecular formula C22H23ClN4O3S and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13785017, 3-(butylsulfanyl)-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(Butylthio)-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-1,2,4-triazino[5,6-d][3,1]benzoxazepine, 3-butylsulfanyl-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(butylthio)-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C22H23ClN4O3S |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 5.6045 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.11795 |
| Heavy Atoms | 31 |
| Complexity | 1082.6168 |
Chemical Identifiers
| CAS Number | 353519-65-0 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4Cl)OC)OC)N=N1 |
Product Overview
AN-655/13785017 (CAS 353519-65-0), with molecular formula C22H23ClN4O3S and molecular weight 458.12 g/mol. IUPAC: 3-butylsulfanyl-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13785017
Property Insights of AN-655/13785017
The XLogP value of 5.6045 indicates that AN-655/13785017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13785017. Following Lipinski's Rule of Five, AN-655/13785017 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13785017?
The CAS number of AN-655/13785017 is 353519-65-0.
What is the molecular formula of AN-655/13785017?
The molecular formula of AN-655/13785017 is C22H23ClN4O3S.
What is the molecular weight of AN-655/13785017?
The molecular weight of AN-655/13785017 is 458.12 g/mol.
Where can I buy AN-655/13785017?
You can request a quote for AN-655/13785017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13785017?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13785017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.