![1-{[(2-Chloroethyl)amino]carbonyl}proline structure](/static/products/2584/258498-38-3.webp)
1-{[(2-Chloroethyl)amino]carbonyl}proline
TL;DR: 1-{[(2-Chloroethyl)amino]carbonyl}proline (CAS 258498-38-3) is a chemical compound with molecular formula C8H13ClN2O3 and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethylcarbamoyl)pyrrolidine-2-carboxylic acid
Also Known As: 1-{[(2-chloroethyl)amino]carbonyl}proline, 1-{[(2-Chloroethyl)amino]carbonyl}, AP-685/41280907, 1-(2-chloroethylcarbamoyl)pyrrolidine-2-carboxylic acid, 1-((2-Chloroethyl)carbamoyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C8H13ClN2O3 |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 0.4838 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.06146 |
| Heavy Atoms | 14 |
| Complexity | 234.62628 |
Chemical Identifiers
| CAS Number | 258498-38-3 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)NCCCl)C(=O)O |
Product Overview
1-{[(2-Chloroethyl)amino]carbonyl}proline (CAS 258498-38-3), with molecular formula C8H13ClN2O3 and molecular weight 220.06 g/mol. IUPAC: 1-(2-chloroethylcarbamoyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-{[(2-Chloroethyl)amino]carbonyl}proline
Property Insights of 1-{[(2-Chloroethyl)amino]carbonyl}proline
The XLogP value of 0.4838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[(2-Chloroethyl)amino]carbonyl}proline. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[(2-Chloroethyl)amino]carbonyl}proline. Following Lipinski's Rule of Five, 1-{[(2-Chloroethyl)amino]carbonyl}proline has 2 hydrogen bond donor(s) and 2 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-{[(2-Chloroethyl)amino]carbonyl}proline?
The CAS number of 1-{[(2-Chloroethyl)amino]carbonyl}proline is 258498-38-3.
What is the molecular formula of 1-{[(2-Chloroethyl)amino]carbonyl}proline?
The molecular formula of 1-{[(2-Chloroethyl)amino]carbonyl}proline is C8H13ClN2O3.
What is the molecular weight of 1-{[(2-Chloroethyl)amino]carbonyl}proline?
The molecular weight of 1-{[(2-Chloroethyl)amino]carbonyl}proline is 220.06 g/mol.
Where can I buy 1-{[(2-Chloroethyl)amino]carbonyl}proline?
You can request a quote for 1-{[(2-Chloroethyl)amino]carbonyl}proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[(2-Chloroethyl)amino]carbonyl}proline?
Yes, KEHONG BIO provides custom synthesis services for 1-{[(2-Chloroethyl)amino]carbonyl}proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.