TL;DR: Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis- (CAS 117112-28-4) is a chemical compound with molecular formula C15H30Cl2N3O3P and molecular weight 401.1402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]amino]cyclohexane-1-carboxylate
Also Known As: Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis-, Ethyl 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphoryl)amino)cyclohexane-1-carboxylate, Ethyl 4-({[bis(2-chloroethyl)amino](dimethylamino)phosphoryl}amino)cyclohexane-1-carboxylate, ethyl 4-[[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]amino]cyclohexane-1-carboxylate, Ethyl 4-[[bis(2-chloroethyl)amino-dimethylamino-phosphoryl]amino]cyclohexane-1-carboxylate
| Molecular Formula | C15H30Cl2N3O3P |
| Molecular Weight | 401.1402 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 401.1402 Da |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
| SMILES | CCOC(=O)C1CCC(CC1)NP(=O)(N(C)C)N(CCCl)CCCl |
| InChIKey | UFDURXXGGXZWCG-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis-. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis-. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis- is 117112-28-4.
The molecular formula of Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis- is C15H30Cl2N3O3P.
The molecular weight of Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis- is 401.1402 g/mol.
You can request a quote for Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Yes, CoreyChem provides custom synthesis services for Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)(dimethylamino)phosphinyl)amino)-, ethyl ester, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
Request a quote for CAS 117112-28-4. Our professional technical team will respond with pricing and lead time.