ChemDiv1_003165
TL;DR: ChemDiv1_003165 (CAS 309925-77-7) is a chemical compound with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_003165, BIM-0041772.P001, 4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-(3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C20H19N3O6 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 3.1459 |
| Topological Polar Surface Area | 122.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.12738 |
| Heavy Atoms | 29 |
| Complexity | 970.43677 |
Chemical Identifiers
| CAS Number | 309925-77-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)O |
Product Overview
ChemDiv1_003165 (CAS 309925-77-7), with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol. IUPAC: 4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_003165
Property Insights of ChemDiv1_003165
The XLogP value of 3.1459 indicates that ChemDiv1_003165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003165. Following Lipinski's Rule of Five, ChemDiv1_003165 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_003165?
The CAS number of ChemDiv1_003165 is 309925-77-7.
What is the molecular formula of ChemDiv1_003165?
The molecular formula of ChemDiv1_003165 is C20H19N3O6.
What is the molecular weight of ChemDiv1_003165?
The molecular weight of ChemDiv1_003165 is 397.13 g/mol.
Where can I buy ChemDiv1_003165?
You can request a quote for ChemDiv1_003165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003165?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.