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Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
TL;DR: Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate (CAS 14054-56-9) is a chemical compound with molecular formula C8H13Cl2NO2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
Also Known As: NCIOpen2_003418, methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate, 2-Propenoic acid,3-[bis(2-chloroethyl)amino]-, methyl ester
| Molecular Formula | C8H13Cl2NO2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 225.03233 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 14054-56-9 |
|---|---|
| SMILES | COC(=O)C=CN(CCCl)CCCl |
| InChIKey | UUJPHLPOKGRGEH-UHFFFAOYSA-N |
Product Overview
Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate (CAS 14054-56-9), with molecular formula C8H13Cl2NO2 and molecular weight 225.03 g/mol. IUPAC: methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate.
Chemical Property Profile of Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
Property Insights of Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The CAS number of Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is 14054-56-9.
What is the molecular formula of Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The molecular formula of Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is C8H13Cl2NO2.
What is the molecular weight of Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The molecular weight of Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is 225.03 g/mol.
Where can I buy Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
You can request a quote for Methyl 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 Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.