4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate
TL;DR: 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate (CAS 708243-00-9) is a chemical compound with molecular formula C14H17ClN2O3 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)-4-oxo-3-pyrrolidin-1-ylbutanoic acid
Also Known As: CBKinase1_007527, CBKinase1_019927, BRD-A45353179-001-01-0, 4-((4-chlorophenyl)amino)-4-oxo-3-(pyrrolidin-1-yl)butanoic acid, 4-(4-chloroanilino)-4-oxo-3-pyrrolidin-1-ylbutanoic acid
| Molecular Formula | C14H17ClN2O3 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 2.2176 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.09277 |
| Heavy Atoms | 20 |
| Complexity | 483.69733 |
Chemical Identifiers
| CAS Number | 708243-00-9 |
|---|---|
| SMILES | C1CCN(C1)C(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl |
Product Overview
4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate (CAS 708243-00-9), with molecular formula C14H17ClN2O3 and molecular weight 296.09 g/mol. IUPAC: 4-(4-chloroanilino)-4-oxo-3-pyrrolidin-1-ylbutanoic acid.
Chemical Property Profile of 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate
Property Insights of 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate
The XLogP value of 2.2176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate. Following Lipinski's Rule of Five, 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate has 2 hydrogen bond donor(s) and 3 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 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate?
The CAS number of 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate is 708243-00-9.
What is the molecular formula of 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate?
The molecular formula of 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate is C14H17ClN2O3.
What is the molecular weight of 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate?
The molecular weight of 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate is 296.09 g/mol.
Where can I buy 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate?
You can request a quote for 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.