Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester
TL;DR: Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester (CAS 13991-74-7) 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 1-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
Also Known As: Cyclohexanecarboxylic acid,, Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester, CYCLOHEXANECARBOXYLIC ACID, ETHYL ESTER, 1-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid ethyl ester, ethyl 1-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
| Molecular Formula | C12H20ClN3O4 |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 2.3 |
| 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 | 359.0 |
Chemical Identifiers
| CAS Number | 13991-74-7 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1)NC(=O)N(CCCl)N=O |
| InChIKey | FPIQZBQZKBKLEI-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester (CAS 13991-74-7), with molecular formula C12H20ClN3O4 and molecular weight 305.11 g/mol. IUPAC: ethyl 1-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester
Property Insights of Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, 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 Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester?
The CAS number of Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester is 13991-74-7.
What is the molecular formula of Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester is C12H20ClN3O4.
What is the molecular weight of Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester is 305.11 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.