3-甲基-2-苯基-2-丁烯腈
TL;DR: 3-甲基-2-苯基-2-丁烯腈 (CAS 18670-23-0) is a chemical compound with molecular formula C11H11N and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-苯基-2-丁烯腈
3-methyl-2-phenylbut-2-enenitrile
Also Known As: 3-methyl-2-phenylbut-2-enenitrile, 3-Methyl-2-phenyl-but-2-enenitrile, 2-Phenyl-3-methyl-2-butenenitrile, 3-methyl-2-phenyl-but-2-ene nitrile, beta,beta-dimethyl-alpha-phenylacrylonitrile
| Molecular Formula | C11H11N |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.08914 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 18670-23-0 |
|---|---|
| SMILES | CC(=C(C#N)C1=CC=CC=C1)C |
| InChIKey | IWOSBVMKLPSAAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-苯基-2-丁烯腈 (CAS 18670-23-0), with molecular formula C11H11N and molecular weight 157.09 g/mol. IUPAC: 3-methyl-2-phenylbut-2-enenitrile.
Chemical Property Profile of 3-甲基-2-苯基-2-丁烯腈
Property Insights of 3-甲基-2-苯基-2-丁烯腈
The XLogP value of 3.1 indicates that 3-甲基-2-苯基-2-丁烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-甲基-2-苯基-2-丁烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-苯基-2-丁烯腈 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 3-甲基-2-苯基-2-丁烯腈?
The CAS number of 3-甲基-2-苯基-2-丁烯腈 is 18670-23-0.
What is the molecular formula of 3-甲基-2-苯基-2-丁烯腈?
The molecular formula of 3-甲基-2-苯基-2-丁烯腈 is C11H11N.
What is the molecular weight of 3-甲基-2-苯基-2-丁烯腈?
The molecular weight of 3-甲基-2-苯基-2-丁烯腈 is 157.09 g/mol.
Where can I buy 3-甲基-2-苯基-2-丁烯腈?
You can request a quote for 3-甲基-2-苯基-2-丁烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-苯基-2-丁烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-苯基-2-丁烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.