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 65576-65-0) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 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 (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
Also Known As: methyl (E)-2-cyano-3-(p-tolyl)acrylate, (e)-methyl 2-cyano-3-p-tolylacrylate, methyl 2-cyano-3-(4-methylphenyl)prop-2-enoate, J2.334.780F, methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.075 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 423.93048 |
Chemical Identifiers
| CAS Number | 65576-65-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC |
Product Overview
2-氰基-3-(4-甲基苯基)丙烯酸甲酯 (CAS 65576-65-0), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: methyl (E)-2-cyano-3-(4-methylphenyl)prop-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 2.075 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 50.09 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 65576-65-0.
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 C12H11NO2.
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 201.08 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.