Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2)
TL;DR: Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) (CAS 24663-73-8) is a chemical compound with molecular formula C11H22Cl4N2O2 and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-4-[bis(2-chloroethyl)amino]pyrrolidine-2-carboxylate;dihydrochloride
Also Known As: Aziprin, 4-(Di(2-chloroethyl))proline ethyl ester dihydrochloride, Proline, 4-(bis(2-chloroethyl)amino)-, ethyl ester, dihydrochloride, L-, Proline, 4-(di(2-chloroethyl))-, ethyl ester, dihydrochloride, L-Proline, 4-(bis(2-chloroethyl)amino)-, ethyl ester, dihydrochloride
| Molecular Formula | C11H22Cl4N2O2 |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 1.9032 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.04355 |
| Heavy Atoms | 19 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 24663-73-8 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1CC(CN1)N(CCCl)CCCl.Cl.Cl |
| InChIKey | WJILNRZJACXWDU-NYMKFKOJSA-N |
Product Overview
Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) (CAS 24663-73-8), with molecular formula C11H22Cl4N2O2 and molecular weight 354.04 g/mol. IUPAC: ethyl (2S)-4-[bis(2-chloroethyl)amino]pyrrolidine-2-carboxylate;dihydrochloride.
Chemical Property Profile of Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2)
Property Insights of Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2)
The XLogP value of 1.9032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2). With a topological polar surface area (TPSA) of 41.6 Ų, Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) has 3 hydrogen bond donor(s) and 4 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 Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2)?
The CAS number of Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) is 24663-73-8.
What is the molecular formula of Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2)?
The molecular formula of Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) is C11H22Cl4N2O2.
What is the molecular weight of Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2)?
The molecular weight of Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) is 354.04 g/mol.
Where can I buy Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2)?
You can request a quote for Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(bis(2-chloroethyl)amino)prolinate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.