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Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
TL;DR: Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate (CAS 18352-41-5) is a chemical compound with molecular formula C9H15Cl2NO2 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
Also Known As: NCIOpen2_003389, ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate, ethyl (E)-3-[bis(2-chloroethyl)amino]prop-2-enoate
| Molecular Formula | C9H15Cl2NO2 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 239.04799 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 18352-41-5 |
|---|---|
| SMILES | CCOC(=O)C=CN(CCCl)CCCl |
| InChIKey | ZLLSGXUNKVEPDI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate (CAS 18352-41-5), with molecular formula C9H15Cl2NO2 and molecular weight 239.05 g/mol. IUPAC: ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate.
Chemical Property Profile of Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
Property Insights of Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate has 0 hydrogen bond donor(s) and 3 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 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The CAS number of Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is 18352-41-5.
What is the molecular formula of Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The molecular formula of Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is C9H15Cl2NO2.
What is the molecular weight of Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The molecular weight of Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is 239.05 g/mol.
Where can I buy Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
You can request a quote for Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[bis(2-chloroethyl)amino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.