1-(4-Chlorobenzoyl)proline
TL;DR: 1-(4-Chlorobenzoyl)proline (CAS 62522-91-2) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)pyrrolidine-2-carboxylic acid
Also Known As: 1-(4-Chlorobenzoyl)proline, proline, 1-(4-chlorobenzoyl)-, 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylic acid, N-(4-Chlorobenzoyl)-L-proline, 1-[(4-chlorophenyl)carbonyl]proline
| Molecular Formula | C12H12ClNO3 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.05057 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 62522-91-2 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | NRJWQQXPQMTJHL-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorobenzoyl)proline (CAS 62522-91-2), with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol. IUPAC: 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(4-Chlorobenzoyl)proline
Property Insights of 1-(4-Chlorobenzoyl)proline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorobenzoyl)proline. With a topological polar surface area (TPSA) of 57.6 Ų, 1-(4-Chlorobenzoyl)proline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzoyl)proline has 1 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 1-(4-Chlorobenzoyl)proline?
The CAS number of 1-(4-Chlorobenzoyl)proline is 62522-91-2.
What is the molecular formula of 1-(4-Chlorobenzoyl)proline?
The molecular formula of 1-(4-Chlorobenzoyl)proline is C12H12ClNO3.
What is the molecular weight of 1-(4-Chlorobenzoyl)proline?
The molecular weight of 1-(4-Chlorobenzoyl)proline is 253.05 g/mol.
Where can I buy 1-(4-Chlorobenzoyl)proline?
You can request a quote for 1-(4-Chlorobenzoyl)proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobenzoyl)proline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzoyl)proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.