4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid
TL;DR: 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid (CAS 87640-31-1) is a chemical compound with molecular formula C11H18ClN3O4 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]cyclohexane-1-carboxylic acid
Also Known As: N-Me-cis-Acid, N-Me-CCCNU, 4-((( cyclohexanecarboxylicacid, 4-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]cyclohexane, 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid
| Molecular Formula | C11H18ClN3O4 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.09857 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 87640-31-1 |
|---|---|
| SMILES | CN(C1CCC(CC1)C(=O)O)C(=O)N(CCCl)N=O |
| InChIKey | DCZXFFVFQJNEQG-UHFFFAOYSA-N |
Product Overview
4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid (CAS 87640-31-1), with molecular formula C11H18ClN3O4 and molecular weight 291.10 g/mol. IUPAC: 4-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid
Property Insights of 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid 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 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid?
The CAS number of 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid is 87640-31-1.
What is the molecular formula of 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid?
The molecular formula of 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid is C11H18ClN3O4.
What is the molecular weight of 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid?
The molecular weight of 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid is 291.10 g/mol.
Where can I buy 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid?
You can request a quote for 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.