BAS 11132745
TL;DR: BAS 11132745 (CAS 727404-04-8) is a chemical compound with molecular formula C22H28N4O4S and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-6,6-dimethyl-9-(2,4,5-trimethoxyphenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132745, 2-(ethylsulfanyl)-6,6-dimethyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(ETHYLSULFANYL)-6,6-DIMETHYL-9-(2,4,5-TRIMETHOXYPHENYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 2-(ethylsulfanyl)-6,6-dimethyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 2-(ethylthio)-6,6-dimethyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C22H28N4O4S |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 4.074 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.18314 |
| Heavy Atoms | 31 |
| Complexity | 1060.0206 |
Chemical Identifiers
| CAS Number | 727404-04-8 |
|---|---|
| SMILES | CCSC1=NN2C(C3=C(CC(CC3=O)(C)C)NC2=N1)C4=CC(=C(C=C4OC)OC)OC |
Product Overview
BAS 11132745 (CAS 727404-04-8), with molecular formula C22H28N4O4S and molecular weight 444.18 g/mol. IUPAC: 2-ethylsulfanyl-6,6-dimethyl-9-(2,4,5-trimethoxyphenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132745
Property Insights of BAS 11132745
The XLogP value of 4.074 indicates that BAS 11132745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11132745. Following Lipinski's Rule of Five, BAS 11132745 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 BAS 11132745?
The CAS number of BAS 11132745 is 727404-04-8.
What is the molecular formula of BAS 11132745?
The molecular formula of BAS 11132745 is C22H28N4O4S.
What is the molecular weight of BAS 11132745?
The molecular weight of BAS 11132745 is 444.18 g/mol.
Where can I buy BAS 11132745?
You can request a quote for BAS 11132745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132745?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.