ChemDiv1_026082
TL;DR: ChemDiv1_026082 (CAS 309922-49-4) is a chemical compound with molecular formula C21H18FNO5 and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: ChemDiv1_026082, BAS 01403002, BIM-0039807.P001, 4-[3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid, A2270/0095672
| Molecular Formula | C21H18FNO5 |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 3.1122 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.1169 |
| Heavy Atoms | 28 |
| Complexity | 937.02814 |
Chemical Identifiers
| CAS Number | 309922-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)F)/O |
Product Overview
ChemDiv1_026082 (CAS 309922-49-4), with molecular formula C21H18FNO5 and molecular weight 383.12 g/mol. IUPAC: 4-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of ChemDiv1_026082
Property Insights of ChemDiv1_026082
The XLogP value of 3.1122 indicates that ChemDiv1_026082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026082. Following Lipinski's Rule of Five, ChemDiv1_026082 has 2 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_026082?
The CAS number of ChemDiv1_026082 is 309922-49-4.
What is the molecular formula of ChemDiv1_026082?
The molecular formula of ChemDiv1_026082 is C21H18FNO5.
What is the molecular weight of ChemDiv1_026082?
The molecular weight of ChemDiv1_026082 is 383.12 g/mol.
Where can I buy ChemDiv1_026082?
You can request a quote for ChemDiv1_026082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026082?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.