BAS 11133133
TL;DR: BAS 11133133 (CAS 727407-40-1) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: BAS 11133133, ethyl 7-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-4,7,8-trihydro-1,2,4-triazolo[1,5- a]pyrimidine-6-carboxylate, ethyl 7-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H22N4O4 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 3.3717 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1641 |
| Heavy Atoms | 30 |
| Complexity | 1091.5269 |
Chemical Identifiers
| CAS Number | 727407-40-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(NC3=NC=NN23)C4=CC=CC=C4)C(=O)OCC)O |
Product Overview
BAS 11133133 (CAS 727407-40-1), with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol. IUPAC: ethyl 7-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 11133133
Property Insights of BAS 11133133
The XLogP value of 3.3717 indicates that BAS 11133133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11133133. Following Lipinski's Rule of Five, BAS 11133133 has 2 hydrogen bond donor(s) and 7 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 11133133?
The CAS number of BAS 11133133 is 727407-40-1.
What is the molecular formula of BAS 11133133?
The molecular formula of BAS 11133133 is C22H22N4O4.
What is the molecular weight of BAS 11133133?
The molecular weight of BAS 11133133 is 406.16 g/mol.
Where can I buy BAS 11133133?
You can request a quote for BAS 11133133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11133133?
Yes, KEHONG BIO provides custom synthesis services for BAS 11133133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.