![({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile structure](/static/products/922/92291-85-5.png)
({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile
TL;DR: ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile (CAS 92291-85-5) is a chemical compound with molecular formula C14H12Cl3N3 and molecular weight 327.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]methylidene]propanedinitrile
Also Known As: 2-(4-(Bis(2-chloroethyl)amino)-2-chlorobenzylidene)malononitrile, ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile, 2-[[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]methylidene]p, 2-[[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]methylidene]propanedinitrile, {4-[bis(2-chloroethyl)amino]-2-chlorobenzylidene}propanedinitrile
| Molecular Formula | C14H12Cl3N3 |
|---|---|
| Molecular Weight | 327.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.00967 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 92291-85-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1N(CCCl)CCCl)Cl)C=C(C#N)C#N |
| InChIKey | ZAQKYVWOSAWBAZ-UHFFFAOYSA-N |
Product Overview
({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile (CAS 92291-85-5), with molecular formula C14H12Cl3N3 and molecular weight 327.01 g/mol. IUPAC: 2-[[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]methylidene]propanedinitrile.
Chemical Property Profile of ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile
Property Insights of ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile
The XLogP value of 3.9 indicates that ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile 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 ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile?
The CAS number of ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile is 92291-85-5.
What is the molecular formula of ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile?
The molecular formula of ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile is C14H12Cl3N3.
What is the molecular weight of ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile?
The molecular weight of ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile is 327.01 g/mol.
Where can I buy ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile?
You can request a quote for ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for ({4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}methylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.