ChemDiv1_004795
TL;DR: ChemDiv1_004795 (CAS 332390-97-3) 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.
4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_004795, CBKinase1_000789, CBKinase1_013189, Butanoic acid,4-amino-2,4-dioxo, 4-[5-(4-Methoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.2992 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 783.91724 |
Chemical Identifiers
| CAS Number | 332390-97-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CS3 |
Product Overview
ChemDiv1_004795 (CAS 332390-97-3), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_004795
Property Insights of ChemDiv1_004795
The XLogP value of 3.2992 indicates that ChemDiv1_004795 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004795. Following Lipinski's Rule of Five, ChemDiv1_004795 has 1 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 ChemDiv1_004795?
The CAS number of ChemDiv1_004795 is 332390-97-3.
What is the molecular formula of ChemDiv1_004795?
The molecular formula of ChemDiv1_004795 is C18H18N2O4S.
What is the molecular weight of ChemDiv1_004795?
The molecular weight of ChemDiv1_004795 is 358.10 g/mol.
Where can I buy ChemDiv1_004795?
You can request a quote for ChemDiv1_004795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004795?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.