2-(4-Chloroanilino)-2-methylbutanenitrile
TL;DR: 2-(4-Chloroanilino)-2-methylbutanenitrile (CAS 28139-36-8) is a chemical compound with molecular formula C11H13ClN2 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)-2-methylbutanenitrile
Also Known As: 2-(4-chloroanilino)-2-methylbutanenitrile, 2-methyl-2-[(4-chlorophenyl)amino]butanenitrile, 2-[(4-chlorophenyl)amino]-2-methyl-butanenitrile
| Molecular Formula | C11H13ClN2 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 3.44418 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07672 |
| Heavy Atoms | 14 |
| Complexity | 339.30032 |
Chemical Identifiers
| CAS Number | 28139-36-8 |
|---|---|
| SMILES | CCC(C)(C#N)NC1=CC=C(C=C1)Cl |
Product Overview
2-(4-Chloroanilino)-2-methylbutanenitrile (CAS 28139-36-8), with molecular formula C11H13ClN2 and molecular weight 208.08 g/mol. IUPAC: 2-(4-chloroanilino)-2-methylbutanenitrile.
Chemical Property Profile of 2-(4-Chloroanilino)-2-methylbutanenitrile
Property Insights of 2-(4-Chloroanilino)-2-methylbutanenitrile
The XLogP value of 3.44418 indicates that 2-(4-Chloroanilino)-2-methylbutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 2-(4-Chloroanilino)-2-methylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloroanilino)-2-methylbutanenitrile has 1 hydrogen bond donor(s) and 2 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-Chloroanilino)-2-methylbutanenitrile?
The CAS number of 2-(4-Chloroanilino)-2-methylbutanenitrile is 28139-36-8.
What is the molecular formula of 2-(4-Chloroanilino)-2-methylbutanenitrile?
The molecular formula of 2-(4-Chloroanilino)-2-methylbutanenitrile is C11H13ClN2.
What is the molecular weight of 2-(4-Chloroanilino)-2-methylbutanenitrile?
The molecular weight of 2-(4-Chloroanilino)-2-methylbutanenitrile is 208.08 g/mol.
Where can I buy 2-(4-Chloroanilino)-2-methylbutanenitrile?
You can request a quote for 2-(4-Chloroanilino)-2-methylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloroanilino)-2-methylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloroanilino)-2-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.