Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-
TL;DR: Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl- (CAS 52320-87-3) is a chemical compound with molecular formula C7H12ClN3O4 and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methylpropanoic acid
Also Known As: N-sec.-Valerylglycin, ALANINE, N-(((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)-2-METHYL-, 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methylpropanoic acid, N-((2-Chloroethyl)nitrosocarbamoyl)-2-methylalanine, Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-2-methyl-
| Molecular Formula | C7H12ClN3O4 |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.05164 |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 52320-87-3 |
|---|---|
| SMILES | CC(C)(C(=O)O)NC(=O)N(CCCl)N=O |
| InChIKey | MLZCGCGQWWRMMX-UHFFFAOYSA-N |
Product Overview
Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl- (CAS 52320-87-3), with molecular formula C7H12ClN3O4 and molecular weight 237.05 g/mol. IUPAC: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methylpropanoic acid.
Chemical Property Profile of Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-
Property Insights of Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-. Following Lipinski's Rule of Five, Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl- 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 Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-?
The CAS number of Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl- is 52320-87-3.
What is the molecular formula of Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-?
The molecular formula of Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl- is C7H12ClN3O4.
What is the molecular weight of Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-?
The molecular weight of Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl- is 237.05 g/mol.
Where can I buy Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-?
You can request a quote for Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.