![Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate structure](/static/products/1404/14047-45-1.webp)
Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate
TL;DR: Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate (CAS 14047-45-1) is a chemical compound with molecular formula C11H18Cl2N2O3 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate
Also Known As: NCIOpen2_003599, ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate, ethyl 2-[[(Z)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino]
| Molecular Formula | C11H18Cl2N2O3 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 296.06946 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 14047-45-1 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C=CN(CCCl)CCCl |
| InChIKey | FLTJYGFVVBIXLH-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate (CAS 14047-45-1), with molecular formula C11H18Cl2N2O3 and molecular weight 296.07 g/mol. IUPAC: ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate.
Chemical Property Profile of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate
Property Insights of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate has 1 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 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate?
The CAS number of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate is 14047-45-1.
What is the molecular formula of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate?
The molecular formula of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate is C11H18Cl2N2O3.
What is the molecular weight of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate?
The molecular weight of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate is 296.07 g/mol.
Where can I buy Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate?
You can request a quote for Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.