![3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile structure](/static/products/2746/27466-71-3.webp)
3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile
TL;DR: 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile (CAS 27466-71-3) is a chemical compound with molecular formula C18H17Cl2N3 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[bis(2-chloroethyl)amino]phenyl]-2-pyridin-4-ylprop-2-enenitrile
Also Known As: 3-{4-[bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile, 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-pyridin-4-ylprop-2-enenitrile, 4-Pyridineacetonitrile,a-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]-
| Molecular Formula | C18H17Cl2N3 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.07996 |
| Heavy Atoms | 23 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 27466-71-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C2=CC=NC=C2)N(CCCl)CCCl |
| InChIKey | LWNXCIIWDISJRV-UHFFFAOYSA-N |
Product Overview
3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile (CAS 27466-71-3), with molecular formula C18H17Cl2N3 and molecular weight 345.08 g/mol. IUPAC: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-pyridin-4-ylprop-2-enenitrile.
Chemical Property Profile of 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile
Property Insights of 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile
The XLogP value of 3.9 indicates that 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile 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 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile?
The CAS number of 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile is 27466-71-3.
What is the molecular formula of 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile?
The molecular formula of 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile is C18H17Cl2N3.
What is the molecular weight of 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile?
The molecular weight of 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile is 345.08 g/mol.
Where can I buy 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile?
You can request a quote for 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-(pyridin-4-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.