BAS 11132612
TL;DR: BAS 11132612 (CAS 727402-86-0) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-hydroxyphenyl)-2-prop-2-enylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132612, 9-(4-hydroxyphenyl)-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)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(4-HYDROXYPHENYL)-2-(PROP-2-EN-1-YLSULFANYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 9-(4-hydroxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.2838 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 869.7013 |
Chemical Identifiers
| CAS Number | 727402-86-0 |
|---|---|
| SMILES | C=CCSC1=NN2C(C3=C(CCCC3=O)NC2=N1)C4=CC=C(C=C4)O |
Product Overview
BAS 11132612 (CAS 727402-86-0), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 9-(4-hydroxyphenyl)-2-prop-2-enylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132612
Property Insights of BAS 11132612
The XLogP value of 3.2838 indicates that BAS 11132612 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 11132612. Following Lipinski's Rule of Five, BAS 11132612 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 11132612?
The CAS number of BAS 11132612 is 727402-86-0.
What is the molecular formula of BAS 11132612?
The molecular formula of BAS 11132612 is C18H18N4O2S.
What is the molecular weight of BAS 11132612?
The molecular weight of BAS 11132612 is 354.12 g/mol.
Where can I buy BAS 11132612?
You can request a quote for BAS 11132612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132612?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.