![2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile structure](/static/products/1672/16720-69-7.webp)
2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
TL;DR: 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile (CAS 16720-69-7) is a chemical compound with molecular formula C15H12Cl2N4 and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
Also Known As: 2-[4-[bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile, 2-{4-[bis(2-chloroethyl)amino]phenyl}ethene-1,1,2-tricarbonitrile, 2-[4-[bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarboni, {4-[Bis(2-chloroethyl)amino]phenyl}ethene-1,1,2-tricarbonitrile, 1,1,2-Ethenetricarbonitrile,2-[4-[bis(2-chloroethyl)amino]phenyl]-
| Molecular Formula | C15H12Cl2N4 |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0439 |
| Heavy Atoms | 21 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 16720-69-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=C(C#N)C#N)C#N)N(CCCl)CCCl |
| InChIKey | XXGHHHAXTXPUFX-UHFFFAOYSA-N |
Product Overview
2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile (CAS 16720-69-7), with molecular formula C15H12Cl2N4 and molecular weight 318.04 g/mol. IUPAC: 2-[4-[bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
Property Insights of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile. Following Lipinski's Rule of Five, 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile has 0 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 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile?
The CAS number of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile is 16720-69-7.
What is the molecular formula of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile?
The molecular formula of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile is C15H12Cl2N4.
What is the molecular weight of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile?
The molecular weight of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile is 318.04 g/mol.
Where can I buy 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile?
You can request a quote for 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.