![2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met structure](/static/products/2164/2164-76-3.webp)
2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met
TL;DR: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met (CAS 2164-76-3) is a chemical compound with molecular formula C30H31Cl2N5 and molecular weight 531.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
Also Known As: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met, 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile, 2,2'-(2-{4-[Bis(2-chloroethyl)amino]phenyl}-1,3-diazinane-1,3-diyl)bis(phenylacetonitrile)
| Molecular Formula | C30H31Cl2N5 |
|---|---|
| Molecular Weight | 531.20 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.1957 |
| Heavy Atoms | 37 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 2164-76-3 |
|---|---|
| SMILES | C1CN(C(N(C1)C(C#N)C2=CC=CC=C2)C3=CC=C(C=C3)N(CCCl)CCCl)C(C#N)C4=CC=CC=C4 |
| InChIKey | QKDYQJZBECAGGP-UHFFFAOYSA-N |
Product Overview
2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met (CAS 2164-76-3), with molecular formula C30H31Cl2N5 and molecular weight 531.20 g/mol. IUPAC: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile.
Chemical Property Profile of 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met
Property Insights of 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met
The XLogP value of 6.3 indicates that 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met?
The CAS number of 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met is 2164-76-3.
What is the molecular formula of 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met?
The molecular formula of 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met is C30H31Cl2N5.
What is the molecular weight of 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met?
The molecular weight of 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met is 531.20 g/mol.
Where can I buy 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met?
You can request a quote for 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)met and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.