![Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate structure](/static/products/822/82219-34-9.png)
Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
TL;DR: Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate (CAS 82219-34-9) 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.
methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Also Known As: methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate, Methyl N-[(2-chloroethyl)(nitroso)carbamoyl]alaninate
| Molecular Formula | C7H12ClN3O4 |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.05164 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 82219-34-9 |
|---|---|
| SMILES | CC(C(=O)OC)NC(=O)N(CCCl)N=O |
| InChIKey | AFEPYMOVYBBFJX-UHFFFAOYSA-N |
Product Overview
Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate (CAS 82219-34-9), with molecular formula C7H12ClN3O4 and molecular weight 237.05 g/mol. IUPAC: methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate.
Chemical Property Profile of Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Property Insights of Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate. Following Lipinski's Rule of Five, Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate has 1 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 Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate?
The CAS number of Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate is 82219-34-9.
What is the molecular formula of Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate?
The molecular formula of Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate is C7H12ClN3O4.
What is the molecular weight of Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate?
The molecular weight of Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate is 237.05 g/mol.
Where can I buy Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate?
You can request a quote for Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.