ChemDiv1_007870
TL;DR: ChemDiv1_007870 (CAS 402947-49-3) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_007870, 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F0877-0015, 4-(3-(3,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.2463 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 894.9239 |
Chemical Identifiers
| CAS Number | 402947-49-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CCC(=O)O)OC |
Product Overview
ChemDiv1_007870 (CAS 402947-49-3), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: 4-[5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_007870
Property Insights of ChemDiv1_007870
The XLogP value of 3.2463 indicates that ChemDiv1_007870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007870. Following Lipinski's Rule of Five, ChemDiv1_007870 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_007870?
The CAS number of ChemDiv1_007870 is 402947-49-3.
What is the molecular formula of ChemDiv1_007870?
The molecular formula of ChemDiv1_007870 is C21H22N2O5.
What is the molecular weight of ChemDiv1_007870?
The molecular weight of ChemDiv1_007870 is 382.15 g/mol.
Where can I buy ChemDiv1_007870?
You can request a quote for ChemDiv1_007870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007870?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.