Chloroethylnitrosocarbamoyl-alanyl-alanine
TL;DR: Chloroethylnitrosocarbamoyl-alanyl-alanine (CAS 1520-78-1) is a chemical compound with molecular formula C9H15ClN4O5 and molecular weight 294.0731 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]propanoic acid
Also Known As: Cnc-alanylalanine, Cnc-ala-ala, CNC-L-Alanyl-L-alanine, Chloroethylnitrosocarbamoyl-alanyl-alanine, E-94
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H15ClN4O5 |
| Molecular Weight | 294.0731 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.0731 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)N(CCCl)N=O |
| InChIKey | ORIIFNMRPNZKHW-WDSKDSINSA-N |
Chemical Property Profile of Chloroethylnitrosocarbamoyl-alanyl-alanine
Property Insights of Chloroethylnitrosocarbamoyl-alanyl-alanine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroethylnitrosocarbamoyl-alanyl-alanine. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloroethylnitrosocarbamoyl-alanyl-alanine. Following Lipinski's Rule of Five, Chloroethylnitrosocarbamoyl-alanyl-alanine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chloroethylnitrosocarbamoyl-alanyl-alanine?
The CAS number of Chloroethylnitrosocarbamoyl-alanyl-alanine is 1520-78-1.
What is the molecular formula of Chloroethylnitrosocarbamoyl-alanyl-alanine?
The molecular formula of Chloroethylnitrosocarbamoyl-alanyl-alanine is C9H15ClN4O5.
What is the molecular weight of Chloroethylnitrosocarbamoyl-alanyl-alanine?
The molecular weight of Chloroethylnitrosocarbamoyl-alanyl-alanine is 294.0731 g/mol.
Where can I buy Chloroethylnitrosocarbamoyl-alanyl-alanine?
You can request a quote for Chloroethylnitrosocarbamoyl-alanyl-alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloroethylnitrosocarbamoyl-alanyl-alanine?
Yes, CoreyChem provides custom synthesis services for Chloroethylnitrosocarbamoyl-alanyl-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.