ChemDiv1_002947
TL;DR: ChemDiv1_002947 (CAS 312586-87-1) is a chemical compound with molecular formula C19H16BrN3O5 and molecular weight 445.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_002947, BAS 01289586, BIM-0008387.P001, 4-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C19H16BrN3O5 |
|---|---|
| Molecular Weight | 445.03 g/mol |
| LogP | 3.8998 |
| Topological Polar Surface Area | 113.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.02734 |
| Heavy Atoms | 28 |
| Complexity | 958.2964 |
Chemical Identifiers
| CAS Number | 312586-87-1 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
ChemDiv1_002947 (CAS 312586-87-1), with molecular formula C19H16BrN3O5 and molecular weight 445.03 g/mol. IUPAC: 4-[5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_002947
Property Insights of ChemDiv1_002947
The XLogP value of 3.8998 indicates that ChemDiv1_002947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002947. Following Lipinski's Rule of Five, ChemDiv1_002947 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_002947?
The CAS number of ChemDiv1_002947 is 312586-87-1.
What is the molecular formula of ChemDiv1_002947?
The molecular formula of ChemDiv1_002947 is C19H16BrN3O5.
What is the molecular weight of ChemDiv1_002947?
The molecular weight of ChemDiv1_002947 is 445.03 g/mol.
Where can I buy ChemDiv1_002947?
You can request a quote for ChemDiv1_002947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002947?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.