Hydrocinnamonitrile, p-chloro-beta-methyl-
TL;DR: Hydrocinnamonitrile, p-chloro-beta-methyl- (CAS 87259-19-6) 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.
3-(4-chlorophenyl)butanenitrile
Also Known As: 3-(4-chlorophenyl)butanenitrile, p-Chloro-beta-methylhydrocinnamonitrile, Hydrocinnamonitrile, p-chloro-beta-methyl-, 3-(4-Chlorophenyl)-3-methylpropionitrile, J3.453.650C
| Molecular Formula | C10H10ClN |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 3.35718 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05017 |
| Heavy Atoms | 12 |
| Complexity | 283.70206 |
Chemical Identifiers
| CAS Number | 87259-19-6 |
|---|---|
| SMILES | CC(CC#N)C1=CC=C(C=C1)Cl |
Product Overview
Hydrocinnamonitrile, p-chloro-beta-methyl- (CAS 87259-19-6), with molecular formula C10H10ClN and molecular weight 179.05 g/mol. IUPAC: 3-(4-chlorophenyl)butanenitrile.
Chemical Property Profile of Hydrocinnamonitrile, p-chloro-beta-methyl-
Property Insights of Hydrocinnamonitrile, p-chloro-beta-methyl-
The XLogP value of 3.35718 indicates that Hydrocinnamonitrile, p-chloro-beta-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Hydrocinnamonitrile, p-chloro-beta-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocinnamonitrile, p-chloro-beta-methyl- 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 Hydrocinnamonitrile, p-chloro-beta-methyl-?
The CAS number of Hydrocinnamonitrile, p-chloro-beta-methyl- is 87259-19-6.
What is the molecular formula of Hydrocinnamonitrile, p-chloro-beta-methyl-?
The molecular formula of Hydrocinnamonitrile, p-chloro-beta-methyl- is C10H10ClN.
What is the molecular weight of Hydrocinnamonitrile, p-chloro-beta-methyl-?
The molecular weight of Hydrocinnamonitrile, p-chloro-beta-methyl- is 179.05 g/mol.
Where can I buy Hydrocinnamonitrile, p-chloro-beta-methyl-?
You can request a quote for Hydrocinnamonitrile, p-chloro-beta-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrocinnamonitrile, p-chloro-beta-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Hydrocinnamonitrile, p-chloro-beta-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.