AB00106330-01
TL;DR: AB00106330-01 (CAS 426237-74-3) is a chemical compound with molecular formula C18H15FN4OS and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-6-(3-fluorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00106330-01, AN-655/14906019, 3-ethylsulfanyl-6-(3-fluorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(ETHYLSULFANYL)-6-(3-FLUOROPHENYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE, 3-(ethylthio)-6-(3-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C18H15FN4OS |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.2928 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.09506 |
| Heavy Atoms | 25 |
| Complexity | 921.0828 |
Chemical Identifiers
| CAS Number | 426237-74-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)F)N=N1 |
Product Overview
AB00106330-01 (CAS 426237-74-3), with molecular formula C18H15FN4OS and molecular weight 354.10 g/mol. IUPAC: 3-ethylsulfanyl-6-(3-fluorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00106330-01
Property Insights of AB00106330-01
The XLogP value of 4.2928 indicates that AB00106330-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, AB00106330-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00106330-01 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 AB00106330-01?
The CAS number of AB00106330-01 is 426237-74-3.
What is the molecular formula of AB00106330-01?
The molecular formula of AB00106330-01 is C18H15FN4OS.
What is the molecular weight of AB00106330-01?
The molecular weight of AB00106330-01 is 354.10 g/mol.
Where can I buy AB00106330-01?
You can request a quote for AB00106330-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106330-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106330-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.