3-(3-Chloroanilino)-3-oxopropanoic acid
TL;DR: 3-(3-Chloroanilino)-3-oxopropanoic acid (CAS 15386-81-9) is a chemical compound with molecular formula C9H8ClNO3 and molecular weight 213.01927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chloroanilino)-3-oxopropanoic acid
Also Known As: 3-(3-chloroanilino)-3-oxopropanoic acid, 2-[(3-chlorophenyl)carbamoyl]acetic Acid, 2-[(3-chlorophenyl)carbamoyl]aceticAcid, 3-(3-chloroanilino)-3-oxo-propanoic acid, 7H-034
Technical Specifications
| Molecular Formula | C9H8ClNO3 |
| Molecular Weight | 213.01927 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.01927 Da |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)CC(=O)O |
| InChIKey | PKCHECGTYGHUTO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Chloroanilino)-3-oxopropanoic acid
Property Insights of 3-(3-Chloroanilino)-3-oxopropanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloroanilino)-3-oxopropanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloroanilino)-3-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(3-Chloroanilino)-3-oxopropanoic 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
What is the CAS number of 3-(3-Chloroanilino)-3-oxopropanoic acid?
The CAS number of 3-(3-Chloroanilino)-3-oxopropanoic acid is 15386-81-9.
What is the molecular formula of 3-(3-Chloroanilino)-3-oxopropanoic acid?
The molecular formula of 3-(3-Chloroanilino)-3-oxopropanoic acid is C9H8ClNO3.
What is the molecular weight of 3-(3-Chloroanilino)-3-oxopropanoic acid?
The molecular weight of 3-(3-Chloroanilino)-3-oxopropanoic acid is 213.01927 g/mol.
Where can I buy 3-(3-Chloroanilino)-3-oxopropanoic acid?
You can request a quote for 3-(3-Chloroanilino)-3-oxopropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Chloroanilino)-3-oxopropanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Chloroanilino)-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.