![Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate structure](/static/products/1835/18352-45-9.webp)
Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate
TL;DR: Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate (CAS 18352-45-9) is a chemical compound with molecular formula C12H19Cl2NO4 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate
Also Known As: diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate, 2-chloro 3-methoxy phenyl isocyanate, diethyl (Z)-2-[bis(2-chloroethyl)amino]but-2-enedioate
| Molecular Formula | C12H19Cl2NO4 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 311.06912 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 18352-45-9 |
|---|---|
| SMILES | CCOC(=O)C=C(C(=O)OCC)N(CCCl)CCCl |
| InChIKey | CQJPHACOGMOIOR-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate (CAS 18352-45-9), with molecular formula C12H19Cl2NO4 and molecular weight 311.07 g/mol. IUPAC: diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate.
Chemical Property Profile of Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate
Property Insights of Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate has 0 hydrogen bond donor(s) and 5 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 Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate?
The CAS number of Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate is 18352-45-9.
What is the molecular formula of Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate?
The molecular formula of Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate is C12H19Cl2NO4.
What is the molecular weight of Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate?
The molecular weight of Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate is 311.07 g/mol.
Where can I buy Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate?
You can request a quote for Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.