3-(4-甲基苯基)丙-2-烯腈
TL;DR: 3-(4-甲基苯基)丙-2-烯腈 (CAS 35121-93-8) is a chemical compound with molecular formula C10H9N and molecular weight 143.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-甲基苯基)丙-2-烯腈
3-(4-methylphenyl)prop-2-enenitrile
Also Known As: 3-(4-methylphenyl)prop-2-enenitrile, 4-methylcinnamonitrile, 4-methyl cinnamonitrile, 3-(p-tolyl)acrylonitrile, 3-(p-tolyl)prop-2-enenitrile
| Molecular Formula | C10H9N |
|---|---|
| Molecular Weight | 143.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.0735 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 35121-93-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=CC#N |
| InChIKey | WHECQDVQLPVCRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-甲基苯基)丙-2-烯腈 (CAS 35121-93-8), with molecular formula C10H9N and molecular weight 143.07 g/mol. IUPAC: 3-(4-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(4-甲基苯基)丙-2-烯腈
Property Insights of 3-(4-甲基苯基)丙-2-烯腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-甲基苯基)丙-2-烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 3-(4-甲基苯基)丙-2-烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-甲基苯基)丙-2-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-(4-甲基苯基)丙-2-烯腈?
The CAS number of 3-(4-甲基苯基)丙-2-烯腈 is 35121-93-8.
What is the molecular formula of 3-(4-甲基苯基)丙-2-烯腈?
The molecular formula of 3-(4-甲基苯基)丙-2-烯腈 is C10H9N.
What is the molecular weight of 3-(4-甲基苯基)丙-2-烯腈?
The molecular weight of 3-(4-甲基苯基)丙-2-烯腈 is 143.07 g/mol.
Where can I buy 3-(4-甲基苯基)丙-2-烯腈?
You can request a quote for 3-(4-甲基苯基)丙-2-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-(4-甲基苯基)丙-2-烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-甲基苯基)丙-2-烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.