N-(2-chloroethyl)-1-nitrosocarbamoylalanine
TL;DR: N-(2-chloroethyl)-1-nitrosocarbamoylalanine (CAS 52320-86-2) is a chemical compound with molecular formula C6H10ClN3O4 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid
Also Known As: CNC-Ala, n-1-nitrosocarbamoylalanine, N-((2-Chloroethyl)nitrosocarbamoyl)alanine, N-(2-Chloroethyl)-1-nitrosocarbamoylalanine, DL-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-
| Molecular Formula | C6H10ClN3O4 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.03598 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 52320-86-2 |
|---|---|
| SMILES | CC(C(=O)O)NC(=O)N(CCCl)N=O |
| InChIKey | ORNLZEDGUXUSMV-UHFFFAOYSA-N |
Product Overview
N-(2-chloroethyl)-1-nitrosocarbamoylalanine (CAS 52320-86-2), with molecular formula C6H10ClN3O4 and molecular weight 223.04 g/mol. IUPAC: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid.
Chemical Property Profile of N-(2-chloroethyl)-1-nitrosocarbamoylalanine
Property Insights of N-(2-chloroethyl)-1-nitrosocarbamoylalanine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloroethyl)-1-nitrosocarbamoylalanine. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloroethyl)-1-nitrosocarbamoylalanine. Following Lipinski's Rule of Five, N-(2-chloroethyl)-1-nitrosocarbamoylalanine has 2 hydrogen bond donor(s) and 5 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 N-(2-chloroethyl)-1-nitrosocarbamoylalanine?
The CAS number of N-(2-chloroethyl)-1-nitrosocarbamoylalanine is 52320-86-2.
What is the molecular formula of N-(2-chloroethyl)-1-nitrosocarbamoylalanine?
The molecular formula of N-(2-chloroethyl)-1-nitrosocarbamoylalanine is C6H10ClN3O4.
What is the molecular weight of N-(2-chloroethyl)-1-nitrosocarbamoylalanine?
The molecular weight of N-(2-chloroethyl)-1-nitrosocarbamoylalanine is 223.04 g/mol.
Where can I buy N-(2-chloroethyl)-1-nitrosocarbamoylalanine?
You can request a quote for N-(2-chloroethyl)-1-nitrosocarbamoylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroethyl)-1-nitrosocarbamoylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroethyl)-1-nitrosocarbamoylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.