ChemDiv1_007914
TL;DR: ChemDiv1_007914 (CAS 6194-71-4) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_007914, BAS 02982842, 4-[3-(3,4-dimethoxyphenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F0877-0016, 4-[5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 3.2549 |
| Topological Polar Surface Area | 97.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 971.85016 |
Chemical Identifiers
| CAS Number | 6194-71-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3OC)C(=O)CCC(=O)O)OC |
Product Overview
ChemDiv1_007914 (CAS 6194-71-4), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: 4-[5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_007914
Property Insights of ChemDiv1_007914
The XLogP value of 3.2549 indicates that ChemDiv1_007914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007914. Following Lipinski's Rule of Five, ChemDiv1_007914 has 1 hydrogen bond donor(s) and 6 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_007914?
The CAS number of ChemDiv1_007914 is 6194-71-4.
What is the molecular formula of ChemDiv1_007914?
The molecular formula of ChemDiv1_007914 is C22H24N2O6.
What is the molecular weight of ChemDiv1_007914?
The molecular weight of ChemDiv1_007914 is 412.16 g/mol.
Where can I buy ChemDiv1_007914?
You can request a quote for ChemDiv1_007914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007914?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.