cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester
TL;DR: cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester (CAS 33073-61-9) is a chemical compound with molecular formula C12H20ClN3O4 and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
Also Known As: cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester, cis-1-(2-Chloroethyl)-3-(3-ethoxycarbonylcyclohexyl)-1-nitrosourea, Cyclohexanecarboxylic acid, 3-(N-nitroso-N-(2-chloroethyl)ureido)-, ethyl ester, (Z)-, Cyclohexanecarboxylic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester, (Z)-, ethyl 3-{[(2-chloroethyl)(nitroso)carbamoyl]amino}cyclohexanecarboxylate
| Molecular Formula | C12H20ClN3O4 |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.11423 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 33073-61-9 |
|---|---|
| SMILES | CCOC(=O)C1CCCC(C1)NC(=O)N(CCCl)N=O |
| InChIKey | YFDRQXFULJWHDW-UHFFFAOYSA-N |
Product Overview
cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester (CAS 33073-61-9), with molecular formula C12H20ClN3O4 and molecular weight 305.11 g/mol. IUPAC: ethyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate.
Chemical Property Profile of cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester
Property Insights of cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester. Following Lipinski's Rule of Five, cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester 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 cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester?
The CAS number of cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester is 33073-61-9.
What is the molecular formula of cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester?
The molecular formula of cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester is C12H20ClN3O4.
What is the molecular weight of cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester?
The molecular weight of cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester is 305.11 g/mol.
Where can I buy cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester?
You can request a quote for cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.