AB00106639-01
TL;DR: AB00106639-01 (CAS 352702-31-9) is a chemical compound with molecular formula C19H17BrN4O3S and molecular weight 460.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-bromo-2,3-dimethoxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00106639-01, 6-(5-bromo-2,3-dimethoxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 4-BROMO-2-METHOXY-6-[3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENYL METHYL ETHER, 6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C19H17BrN4O3S |
|---|---|
| Molecular Weight | 460.02 g/mol |
| LogP | 4.5433 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.02048 |
| Heavy Atoms | 28 |
| Complexity | 1034.0558 |
Chemical Identifiers
| CAS Number | 352702-31-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)Br |
Product Overview
AB00106639-01 (CAS 352702-31-9), with molecular formula C19H17BrN4O3S and molecular weight 460.02 g/mol. IUPAC: 6-(5-bromo-2,3-dimethoxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00106639-01
Property Insights of AB00106639-01
The XLogP value of 4.5433 indicates that AB00106639-01 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 AB00106639-01. Following Lipinski's Rule of Five, AB00106639-01 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 AB00106639-01?
The CAS number of AB00106639-01 is 352702-31-9.
What is the molecular formula of AB00106639-01?
The molecular formula of AB00106639-01 is C19H17BrN4O3S.
What is the molecular weight of AB00106639-01?
The molecular weight of AB00106639-01 is 460.02 g/mol.
Where can I buy AB00106639-01?
You can request a quote for AB00106639-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106639-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106639-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.