BAS 12719349
TL;DR: BAS 12719349 (CAS 871908-12-2) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 12719349, F3074-0045, 4-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.9962 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 785.6481 |
Chemical Identifiers
| CAS Number | 871908-12-2 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=CC=C3O |
Product Overview
BAS 12719349 (CAS 871908-12-2), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 4-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 12719349
Property Insights of BAS 12719349
The XLogP value of 2.9962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12719349. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12719349. Following Lipinski's Rule of Five, BAS 12719349 has 2 hydrogen bond donor(s) and 5 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 12719349?
The CAS number of BAS 12719349 is 871908-12-2.
What is the molecular formula of BAS 12719349?
The molecular formula of BAS 12719349 is C17H16N2O4S.
What is the molecular weight of BAS 12719349?
The molecular weight of BAS 12719349 is 344.08 g/mol.
Where can I buy BAS 12719349?
You can request a quote for BAS 12719349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12719349?
Yes, KEHONG BIO provides custom synthesis services for BAS 12719349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.