ChemDiv1_007044
TL;DR: ChemDiv1_007044 (CAS 335398-96-4) is a chemical compound with molecular formula C21H21BrN2O5 and molecular weight 460.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_007044, 4-(3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, BAS 02277054, F0805-0103, 4-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
| Molecular Formula | C21H21BrN2O5 |
|---|---|
| Molecular Weight | 460.06 g/mol |
| LogP | 4.0088 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.0634 |
| Heavy Atoms | 29 |
| Complexity | 942.5877 |
Chemical Identifiers
| CAS Number | 335398-96-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_007044 (CAS 335398-96-4), with molecular formula C21H21BrN2O5 and molecular weight 460.06 g/mol. IUPAC: 4-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_007044
Property Insights of ChemDiv1_007044
The XLogP value of 4.0088 indicates that ChemDiv1_007044 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_007044. Following Lipinski's Rule of Five, ChemDiv1_007044 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_007044?
The CAS number of ChemDiv1_007044 is 335398-96-4.
What is the molecular formula of ChemDiv1_007044?
The molecular formula of ChemDiv1_007044 is C21H21BrN2O5.
What is the molecular weight of ChemDiv1_007044?
The molecular weight of ChemDiv1_007044 is 460.06 g/mol.
Where can I buy ChemDiv1_007044?
You can request a quote for ChemDiv1_007044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007044?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.