ChemDiv1_002928
TL;DR: ChemDiv1_002928 (CAS 312587-04-5) is a chemical compound with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_002928, BIM-0038744.P001, AF-399/15284100, 4-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C20H19BrN2O4 |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 4.0002 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.05283 |
| Heavy Atoms | 27 |
| Complexity | 862.55536 |
Chemical Identifiers
| CAS Number | 312587-04-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_002928 (CAS 312587-04-5), with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol. IUPAC: 4-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_002928
Property Insights of ChemDiv1_002928
The XLogP value of 4.0002 indicates that ChemDiv1_002928 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_002928. Following Lipinski's Rule of Five, ChemDiv1_002928 has 1 hydrogen bond donor(s) and 4 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_002928?
The CAS number of ChemDiv1_002928 is 312587-04-5.
What is the molecular formula of ChemDiv1_002928?
The molecular formula of ChemDiv1_002928 is C20H19BrN2O4.
What is the molecular weight of ChemDiv1_002928?
The molecular weight of ChemDiv1_002928 is 430.05 g/mol.
Where can I buy ChemDiv1_002928?
You can request a quote for ChemDiv1_002928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002928?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.