![2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile structure](/static/products/5196/5196-67-8.webp)
2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile
TL;DR: 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile (CAS 5196-67-8) is a chemical compound with molecular formula C12H4Cl2N4 and molecular weight 273.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile
Also Known As: 2-chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile, 2,2'-(1,4-Phenylene)bis(chloropropanedinitrile), 4-Methoxy-4'-hydroxy-3'-methyl-desoxybenzoin-o-carbonsaeure, 2-[2-(4-Hydroxy-3-methyl-phenyl)-2-oxo-ethyl]-5-methoxy-benzoic acid
| Molecular Formula | C12H4Cl2N4 |
|---|---|
| Molecular Weight | 273.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.9813 |
| Heavy Atoms | 18 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 5196-67-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)(C#N)Cl)C(C#N)(C#N)Cl |
| InChIKey | RPMXCICQPZDNKK-UHFFFAOYSA-N |
Product Overview
2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile (CAS 5196-67-8), with molecular formula C12H4Cl2N4 and molecular weight 273.98 g/mol. IUPAC: 2-chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile.
Chemical Property Profile of 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile
Property Insights of 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile. Following Lipinski's Rule of Five, 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile 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-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile?
The CAS number of 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile is 5196-67-8.
What is the molecular formula of 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile?
The molecular formula of 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile is C12H4Cl2N4.
What is the molecular weight of 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile?
The molecular weight of 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile is 273.98 g/mol.
Where can I buy 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile?
You can request a quote for 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2-[4-[chloro(dicyano)methyl]phenyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.