AN-655/13602015
TL;DR: AN-655/13602015 (CAS 426236-00-2) is a chemical compound with molecular formula C21H20N4OS and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethylphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13602015, 6-(4-ethylphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, allyl6-(4-ethylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-ylsulfide, 3-(ALLYLSULFANYL)-6-(4-ETHYLPHENYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
| Molecular Formula | C21H20N4OS |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 4.8822 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.13577 |
| Heavy Atoms | 27 |
| Complexity | 958.6504 |
Chemical Identifiers
| CAS Number | 426236-00-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C |
Product Overview
AN-655/13602015 (CAS 426236-00-2), with molecular formula C21H20N4OS and molecular weight 376.14 g/mol. IUPAC: 6-(4-ethylphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13602015
Property Insights of AN-655/13602015
The XLogP value of 4.8822 indicates that AN-655/13602015 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-655/13602015 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/13602015 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-655/13602015?
The CAS number of AN-655/13602015 is 426236-00-2.
What is the molecular formula of AN-655/13602015?
The molecular formula of AN-655/13602015 is C21H20N4OS.
What is the molecular weight of AN-655/13602015?
The molecular weight of AN-655/13602015 is 376.14 g/mol.
Where can I buy AN-655/13602015?
You can request a quote for AN-655/13602015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13602015?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13602015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.