BAS 12719350
TL;DR: BAS 12719350 (CAS 871673-20-0) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: BAS 12719350, F3074-0047, 5-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid, 5-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid, 5-[5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.3863 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 801.16724 |
Chemical Identifiers
| CAS Number | 871673-20-0 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)CCCC(=O)O)C3=CC=CC=C3O |
Product Overview
BAS 12719350 (CAS 871673-20-0), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 5-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
Chemical Property Profile of BAS 12719350
Property Insights of BAS 12719350
The XLogP value of 3.3863 indicates that BAS 12719350 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12719350. Following Lipinski's Rule of Five, BAS 12719350 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 12719350?
The CAS number of BAS 12719350 is 871673-20-0.
What is the molecular formula of BAS 12719350?
The molecular formula of BAS 12719350 is C18H18N2O4S.
What is the molecular weight of BAS 12719350?
The molecular weight of BAS 12719350 is 358.10 g/mol.
Where can I buy BAS 12719350?
You can request a quote for BAS 12719350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12719350?
Yes, KEHONG BIO provides custom synthesis services for BAS 12719350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.