Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-
TL;DR: Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L- (CAS 80687-32-7) is a chemical compound with molecular formula C8H12ClN3O4 and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylic acid
Also Known As: Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-, N-((2-Chloroethyl)nitrosocarbamoyl)-L-proline, N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-proline, L-Proline, 1-(((2-chloroethyl)nitrosoamino)carbonyl)-, N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-proline [French]
| Molecular Formula | C8H12ClN3O4 |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 0.8776 |
| Topological Polar Surface Area | 90.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.05164 |
| Heavy Atoms | 16 |
| Complexity | 299.008 |
Chemical Identifiers
| CAS Number | 80687-32-7 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)N(CCCl)N=O)C(=O)O |
Product Overview
Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L- (CAS 80687-32-7), with molecular formula C8H12ClN3O4 and molecular weight 249.05 g/mol. IUPAC: (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-
Property Insights of Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-
The XLogP value of 0.8776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-. The TPSA of 90.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-. Following Lipinski's Rule of Five, Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L- has 1 hydrogen bond donor(s) and 4 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 Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
The CAS number of Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L- is 80687-32-7.
What is the molecular formula of Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
The molecular formula of Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L- is C8H12ClN3O4.
What is the molecular weight of Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
The molecular weight of Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L- is 249.05 g/mol.
Where can I buy Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
You can request a quote for Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
Yes, KEHONG BIO provides custom synthesis services for Proline, N-((2-chloroethyl)nitrosocarbamoyl)-, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.