3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
TL;DR: 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester (CAS 85889-36-7) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-propan-2-ylbut-3-enoate
Also Known As: 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-propan-2-ylbut-3-enoate, cyano(3-phenoxyphenyl)methyl 3-methyl-2-(propan-2-yl)but-3-enoate
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 85889-36-7 |
|---|---|
| SMILES | CC(C)C(C(=C)C)C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | GLMIPCHGYCQYET-UHFFFAOYSA-N |
Product Overview
3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester (CAS 85889-36-7), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-propan-2-ylbut-3-enoate.
Chemical Property Profile of 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
Property Insights of 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
The XLogP value of 5.3 indicates that 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The CAS number of 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester is 85889-36-7.
What is the molecular formula of 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The molecular formula of 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester is C22H23NO3.
What is the molecular weight of 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The molecular weight of 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester is 349.17 g/mol.
Where can I buy 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
You can request a quote for 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 3-methyl-2-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.