BAS 11132872
TL;DR: BAS 11132872 (CAS 727405-01-8) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-hydroxyphenyl)-6,6-dimethyl-2-prop-2-enylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132872, 9-(4-hydroxyphenyl)-6,6-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(allylthio)-9-(4-hydroxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(4-hydroxyphenyl)-6,6-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(4-hydroxyphenyl)-6,6-dimethyl-2-prop-2-enylsulfanyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.9199 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 943.39136 |
Chemical Identifiers
| CAS Number | 727405-01-8 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SCC=C)N2)C4=CC=C(C=C4)O)C(=O)C1)C |
Product Overview
BAS 11132872 (CAS 727405-01-8), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 9-(4-hydroxyphenyl)-6,6-dimethyl-2-prop-2-enylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132872
Property Insights of BAS 11132872
The XLogP value of 3.9199 indicates that BAS 11132872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11132872. Following Lipinski's Rule of Five, BAS 11132872 has 2 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 BAS 11132872?
The CAS number of BAS 11132872 is 727405-01-8.
What is the molecular formula of BAS 11132872?
The molecular formula of BAS 11132872 is C20H22N4O2S.
What is the molecular weight of BAS 11132872?
The molecular weight of BAS 11132872 is 382.15 g/mol.
Where can I buy BAS 11132872?
You can request a quote for BAS 11132872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132872?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.