4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid
TL;DR: 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid (CAS 333397-53-8) is a chemical compound with molecular formula C14H16ClNO4 and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid
Also Known As: BAS 00483672, 4-(4-chloroanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid, 4-(4-chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid, 4-[(4-chlorophenyl)amino]-4-oxo-3-(tetrahydro-2-furanyl)butanoic acid, N-(4-Chloro-phenyl)-3-(tetrahydro-furan-2-yl)-succinamic acid
| Molecular Formula | C14H16ClNO4 |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 2.5484 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.07678 |
| Heavy Atoms | 20 |
| Complexity | 482.4522 |
Chemical Identifiers
| CAS Number | 333397-53-8 |
|---|---|
| SMILES | C1CC(OC1)C(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl |
Product Overview
4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid (CAS 333397-53-8), with molecular formula C14H16ClNO4 and molecular weight 297.08 g/mol. IUPAC: 4-(4-chloroanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid.
Chemical Property Profile of 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid
Property Insights of 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid
The XLogP value of 2.5484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid. Following Lipinski's Rule of Five, 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid 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-tetrahydro-2-furanylbutanoic acid?
The CAS number of 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid is 333397-53-8.
What is the molecular formula of 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid?
The molecular formula of 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid is C14H16ClNO4.
What is the molecular weight of 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid?
The molecular weight of 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid is 297.08 g/mol.
Where can I buy 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid?
You can request a quote for 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid 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-tetrahydro-2-furanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.