beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-
TL;DR: beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- (CAS 79955-38-7) 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.
3-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid
Also Known As: beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-, N-((2-Chloroethyl)nitrosocarbamoyl)-beta-alanine, beta-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, 3-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid, 1-(2-Chloroethyl)-1-nitroso-3-(2-carboxyethyl)-urea
| Molecular Formula | C6H10ClN3O4 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.03598 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 79955-38-7 |
|---|---|
| SMILES | C(CNC(=O)N(CCCl)N=O)C(=O)O |
| InChIKey | FPGDVNUVVGJFDT-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- (CAS 79955-38-7), with molecular formula C6H10ClN3O4 and molecular weight 223.04 g/mol. IUPAC: 3-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-
Property Insights of beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-. Following Lipinski's Rule of Five, beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- 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 beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-?
The CAS number of beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- is 79955-38-7.
What is the molecular formula of beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-?
The molecular formula of beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- is C6H10ClN3O4.
What is the molecular weight of beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-?
The molecular weight of beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- is 223.04 g/mol.
Where can I buy beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-?
You can request a quote for beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.