BAS 00651267
TL;DR: BAS 00651267 (CAS 331867-56-2) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: BAS 00651267, AB00094271-01, 3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-methylsulfanyl-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 2,3-DIMETHOXY-4-[3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENYL METHYL ETHER
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.7894 |
| Topological Polar Surface Area | 87.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1046.985 |
Chemical Identifiers
| CAS Number | 331867-56-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)OC)OC |
Product Overview
BAS 00651267 (CAS 331867-56-2), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: 3-methylsulfanyl-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of BAS 00651267
Property Insights of BAS 00651267
The XLogP value of 3.7894 indicates that BAS 00651267 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00651267. Following Lipinski's Rule of Five, BAS 00651267 has 1 hydrogen bond donor(s) and 9 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 BAS 00651267?
The CAS number of BAS 00651267 is 331867-56-2.
What is the molecular formula of BAS 00651267?
The molecular formula of BAS 00651267 is C20H20N4O4S.
What is the molecular weight of BAS 00651267?
The molecular weight of BAS 00651267 is 412.12 g/mol.
Where can I buy BAS 00651267?
You can request a quote for BAS 00651267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00651267?
Yes, KEHONG BIO provides custom synthesis services for BAS 00651267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.