AN-655/13869002
TL;DR: AN-655/13869002 (CAS 353519-84-3) is a chemical compound with molecular formula C19H15BrN4O3S and molecular weight 458.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-10-bromo-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13869002, 6-(1,3-benzodioxol-5-yl)-10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(1,3-benzodioxol-5-yl)-10-bromo-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C19H15BrN4O3S |
|---|---|
| Molecular Weight | 458.00 g/mol |
| LogP | 4.6449 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.00482 |
| Heavy Atoms | 28 |
| Complexity | 1065.3439 |
Chemical Identifiers
| CAS Number | 353519-84-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC5=C(C=C4)OCO5)N=N1 |
Product Overview
AN-655/13869002 (CAS 353519-84-3), with molecular formula C19H15BrN4O3S and molecular weight 458.00 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-10-bromo-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13869002
Property Insights of AN-655/13869002
The XLogP value of 4.6449 indicates that AN-655/13869002 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-655/13869002. Following Lipinski's Rule of Five, AN-655/13869002 has 1 hydrogen bond donor(s) and 8 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-655/13869002?
The CAS number of AN-655/13869002 is 353519-84-3.
What is the molecular formula of AN-655/13869002?
The molecular formula of AN-655/13869002 is C19H15BrN4O3S.
What is the molecular weight of AN-655/13869002?
The molecular weight of AN-655/13869002 is 458.00 g/mol.
Where can I buy AN-655/13869002?
You can request a quote for AN-655/13869002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13869002?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13869002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.