BAS 11132729
TL;DR: BAS 11132729 (CAS 727403-88-5) is a chemical compound with molecular formula C20H24N4O2S and molecular weight 384.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-9-(3-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132729, 2-(ethylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(ETHYLSULFANYL)-9-(3-METHOXYPHENYL)-6,6-DIMETHYL-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 2-(ethylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 2-(ethylthio)-9-(3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C20H24N4O2S |
|---|---|
| Molecular Weight | 384.16 g/mol |
| LogP | 4.0568 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.162 |
| Heavy Atoms | 27 |
| Complexity | 931.813 |
Chemical Identifiers
| CAS Number | 727403-88-5 |
|---|---|
| SMILES | CCSC1=NN2C(C3=C(CC(CC3=O)(C)C)NC2=N1)C4=CC(=CC=C4)OC |
Product Overview
BAS 11132729 (CAS 727403-88-5), with molecular formula C20H24N4O2S and molecular weight 384.16 g/mol. IUPAC: 2-ethylsulfanyl-9-(3-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132729
Property Insights of BAS 11132729
The XLogP value of 4.0568 indicates that BAS 11132729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11132729. Following Lipinski's Rule of Five, BAS 11132729 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 BAS 11132729?
The CAS number of BAS 11132729 is 727403-88-5.
What is the molecular formula of BAS 11132729?
The molecular formula of BAS 11132729 is C20H24N4O2S.
What is the molecular weight of BAS 11132729?
The molecular weight of BAS 11132729 is 384.16 g/mol.
Where can I buy BAS 11132729?
You can request a quote for BAS 11132729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132729?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.