![Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate structure](/static/products/1845/18450-44-7.webp)
Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate
TL;DR: Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate (CAS 18450-44-7) is a chemical compound with molecular formula C14H24Cl2N2O3 and molecular weight 338.12 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]-3-methylbutanoate
Also Known As: ethyl 2-[[(E)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino], Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methyl-butanoate, ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate
| Molecular Formula | C14H24Cl2N2O3 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 1.9836 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.1164 |
| Heavy Atoms | 21 |
| Complexity | 343.1108 |
Chemical Identifiers
| CAS Number | 18450-44-7 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)NC(=O)C=CN(CCCl)CCCl |
Product Overview
Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate (CAS 18450-44-7), with molecular formula C14H24Cl2N2O3 and molecular weight 338.12 g/mol. IUPAC: ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate.
Chemical Property Profile of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate
Property Insights of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate
The XLogP value of 1.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate. With a topological polar surface area (TPSA) of 58.64 Ų, Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate 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]-3-methylbutanoate 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]-3-methylbutanoate?
The CAS number of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate is 18450-44-7.
What is the molecular formula of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate?
The molecular formula of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate is C14H24Cl2N2O3.
What is the molecular weight of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate?
The molecular weight of Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate is 338.12 g/mol.
Where can I buy Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate?
You can request a quote for Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate 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]-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.