Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-
TL;DR: Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L- (CAS 102585-66-0) is a chemical compound with molecular formula C9H14ClN3O6 and molecular weight 295.0571 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]butanedioate
Also Known As: ASP CNU, ICIG 1730, ASPARTIC ACID, N-((2-CHLOROETHYL)NITROSOCARBAMOYL)-, DIMETHYL ESTER, L-, L-N-((2-Chloroethyl)nitrosocarbamoyl)aspartic acid dimethyl ester, dimethyl n-[(2-chloroethyl)(nitroso)carbamoyl]-l-aspartate
Technical Specifications
| Molecular Formula | C9H14ClN3O6 |
| Molecular Weight | 295.0571 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.0571 Da |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
| SMILES | COC(=O)C[C@@H](C(=O)OC)NC(=O)N(CCCl)N=O |
| InChIKey | FDKBKAFVAHKZMW-LURJTMIESA-N |
Chemical Property Profile of Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-
Property Insights of Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-. Following Lipinski's Rule of Five, Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-?
The CAS number of Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L- is 102585-66-0.
What is the molecular formula of Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-?
The molecular formula of Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L- is C9H14ClN3O6.
What is the molecular weight of Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-?
The molecular weight of Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L- is 295.0571 g/mol.
Where can I buy Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-?
You can request a quote for Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L-?
Yes, CoreyChem provides custom synthesis services for Aspartic acid, N-((2-chloroethyl)nitrosocarbamoyl)-, dimethyl ester, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.