Benzenebutanenitrile, alpha-chloro-
TL;DR: Benzenebutanenitrile, alpha-chloro- (CAS 53279-93-9) is a chemical compound with molecular formula C10H10ClN and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-phenylbutanenitrile
Also Known As: 2-Chloro-4-phenylbutanenitrile, alpha-Chlorobenzenebutanenitrile, 2-Chloro-4-phenylbutyronitrile, 2-Chloro-4-phenylbutanenitrile #, Benzenebutanenitrile, .alpha.-chloro-
| Molecular Formula | C10H10ClN |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05017 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 53279-93-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(C#N)Cl |
| InChIKey | FYBQJUBETUXGOI-UHFFFAOYSA-N |
Product Overview
Benzenebutanenitrile, alpha-chloro- (CAS 53279-93-9), with molecular formula C10H10ClN and molecular weight 179.05 g/mol. IUPAC: 2-chloro-4-phenylbutanenitrile.
Chemical Property Profile of Benzenebutanenitrile, alpha-chloro-
Property Insights of Benzenebutanenitrile, alpha-chloro-
The XLogP value of 3.0 indicates that Benzenebutanenitrile, alpha-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Benzenebutanenitrile, alpha-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanenitrile, alpha-chloro- has 0 hydrogen bond donor(s) and 1 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 Benzenebutanenitrile, alpha-chloro-?
The CAS number of Benzenebutanenitrile, alpha-chloro- is 53279-93-9.
What is the molecular formula of Benzenebutanenitrile, alpha-chloro-?
The molecular formula of Benzenebutanenitrile, alpha-chloro- is C10H10ClN.
What is the molecular weight of Benzenebutanenitrile, alpha-chloro-?
The molecular weight of Benzenebutanenitrile, alpha-chloro- is 179.05 g/mol.
Where can I buy Benzenebutanenitrile, alpha-chloro-?
You can request a quote for Benzenebutanenitrile, alpha-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanenitrile, alpha-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanenitrile, alpha-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.