AN-655/13869029
TL;DR: AN-655/13869029 (CAS 426234-79-9) is a chemical compound with molecular formula C17H19BrN4OS and molecular weight 406.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-3-ethylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane]
Also Known As: AN-655/13869029, 10-bromo-3-ethylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane], 10-bromo-3-(ethylthio)-6,7-dihydrospiro([1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane), 10'-bromo-3'-(ethylthio)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
| Molecular Formula | C17H19BrN4OS |
|---|---|
| Molecular Weight | 406.05 g/mol |
| LogP | 4.8778 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.0463 |
| Heavy Atoms | 24 |
| Complexity | 764.2509 |
Chemical Identifiers
| CAS Number | 426234-79-9 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC4(O2)CCCCC4)N=N1 |
Product Overview
AN-655/13869029 (CAS 426234-79-9), with molecular formula C17H19BrN4OS and molecular weight 406.05 g/mol. IUPAC: 10-bromo-3-ethylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane].
Chemical Property Profile of AN-655/13869029
Property Insights of AN-655/13869029
The XLogP value of 4.8778 indicates that AN-655/13869029 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-655/13869029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/13869029 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-655/13869029?
The CAS number of AN-655/13869029 is 426234-79-9.
What is the molecular formula of AN-655/13869029?
The molecular formula of AN-655/13869029 is C17H19BrN4OS.
What is the molecular weight of AN-655/13869029?
The molecular weight of AN-655/13869029 is 406.05 g/mol.
Where can I buy AN-655/13869029?
You can request a quote for AN-655/13869029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13869029?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13869029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.