Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate
TL;DR: Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate (CAS 51630-53-6) is a chemical compound with molecular formula C26H25NO3 and molecular weight 399.18 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-(4-methylphenyl)butanoate
Also Known As: 4-Methyl-alpha-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester, Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate, [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-(4-methylphenyl)butanoate, Benzeneacetic acid, 4-methyl-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, RefChem:1082379
| Molecular Formula | C26H25NO3 |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 6.335 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.18344 |
| Heavy Atoms | 30 |
| Complexity | 1020.1493 |
Chemical Identifiers
| CAS Number | 51630-53-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
Product Overview
Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate (CAS 51630-53-6), with molecular formula C26H25NO3 and molecular weight 399.18 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-(4-methylphenyl)butanoate.
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate
Property Insights of Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate
The XLogP value of 6.335 indicates that Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate 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 Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
The CAS number of Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate is 51630-53-6.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate is C26H25NO3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate is 399.18 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.