BAS 01157445
TL;DR: BAS 01157445 (CAS 332126-56-4) is a chemical compound with molecular formula C21H22N4O4S2 and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01157445, Ethyl 2-(2-((3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2-{2-[5-(2-Hydroxy-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester, ethyl 2-[[2-[[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H22N4O4S2 |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 4.0251 |
| Topological Polar Surface Area | 117.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.10825 |
| Heavy Atoms | 31 |
| Complexity | 1108.7474 |
Chemical Identifiers
| CAS Number | 332126-56-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4O |
Product Overview
BAS 01157445 (CAS 332126-56-4), with molecular formula C21H22N4O4S2 and molecular weight 458.11 g/mol. IUPAC: ethyl 2-[[2-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01157445
Property Insights of BAS 01157445
The XLogP value of 4.0251 indicates that BAS 01157445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157445. Following Lipinski's Rule of Five, BAS 01157445 has 3 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 01157445?
The CAS number of BAS 01157445 is 332126-56-4.
What is the molecular formula of BAS 01157445?
The molecular formula of BAS 01157445 is C21H22N4O4S2.
What is the molecular weight of BAS 01157445?
The molecular weight of BAS 01157445 is 458.11 g/mol.
Where can I buy BAS 01157445?
You can request a quote for BAS 01157445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157445?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.