Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate
TL;DR: Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate (CAS 12058-38-7) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[cyano-(3-phenoxyphenyl)methyl] 3-methylbut-2-enoate
Also Known As: cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate, [cyano-(3-phenoxyphenyl)methyl] 3-methylbut-2-enoate, 2-Butenoic acid, 3-methyl-, cyano(3-phenoxyphenyl)methyl ester, 2-Butenoic acid,3-methyl-, cyano(3-phenoxyphenyl)methyl ester, 3-Methyl-2-butenoic acid alpha-cyano-3-phenoxybenzyl ester
Technical Specifications
| Molecular Formula | C19H17NO3 |
| Molecular Weight | 307.12085 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.12085 Da |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
| SMILES | CC(=CC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C |
| InChIKey | LQYZNJKINKAUDK-UHFFFAOYSA-N |
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate
Property Insights of Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate
The XLogP value of 5.0 indicates that Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate?
The CAS number of Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate is 12058-38-7.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate is C19H17NO3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate is 307.12085 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate?
Yes, CoreyChem provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl 3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.