2-氰基-3-(4-甲基苯基)丙烯酸甲酯
TL;DR: 2-氰基-3-(4-甲基苯基)丙烯酸甲酯 (CAS 3695-84-9) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基-3-(4-甲基苯基)丙烯酸甲酯
methyl 2-cyano-3-phenylprop-2-enoate
Also Known As: Methyl alpha-cyanocinnamate, Methyl 2-cyano-3-phenylacrylate, Methyl (E)-2-Cyano-3-phenylacrylate, methyl benzylidenecyanoacetate, Methyl .alpha.-cyanocinnamate
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 3695-84-9 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=CC=C1)C#N |
| InChIKey | XLNFLJOWTRDNCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰基-3-(4-甲基苯基)丙烯酸甲酯 (CAS 3695-84-9), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: methyl 2-cyano-3-phenylprop-2-enoate.
Chemical Property Profile of 2-氰基-3-(4-甲基苯基)丙烯酸甲酯
Property Insights of 2-氰基-3-(4-甲基苯基)丙烯酸甲酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基-3-(4-甲基苯基)丙烯酸甲酯. With a topological polar surface area (TPSA) of 50.1 Ų, 2-氰基-3-(4-甲基苯基)丙烯酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氰基-3-(4-甲基苯基)丙烯酸甲酯 has 0 hydrogen bond donor(s) and 3 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-氰基-3-(4-甲基苯基)丙烯酸甲酯?
The CAS number of 2-氰基-3-(4-甲基苯基)丙烯酸甲酯 is 3695-84-9.
What is the molecular formula of 2-氰基-3-(4-甲基苯基)丙烯酸甲酯?
The molecular formula of 2-氰基-3-(4-甲基苯基)丙烯酸甲酯 is C11H9NO2.
What is the molecular weight of 2-氰基-3-(4-甲基苯基)丙烯酸甲酯?
The molecular weight of 2-氰基-3-(4-甲基苯基)丙烯酸甲酯 is 187.06 g/mol.
Where can I buy 2-氰基-3-(4-甲基苯基)丙烯酸甲酯?
You can request a quote for 2-氰基-3-(4-甲基苯基)丙烯酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基-3-(4-甲基苯基)丙烯酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基-3-(4-甲基苯基)丙烯酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.