Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester
TL;DR: Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester (CAS 67679-29-2) is a chemical compound with molecular formula C25H22ClNO4 and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenoxy)-3-methylbutanoate
Also Known As: Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester, cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenoxy)-3-methylbutanoate, [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenoxy)-3-methyl-butanoate, [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenoxy)-3-methylbutanoate
| Molecular Formula | C25H22ClNO4 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.12375 |
| Heavy Atoms | 31 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 67679-29-2 |
|---|---|
| SMILES | CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)OC3=CC=C(C=C3)Cl |
| InChIKey | FWUWMPWOYSVVCX-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester (CAS 67679-29-2), with molecular formula C25H22ClNO4 and molecular weight 435.12 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenoxy)-3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester
Property Insights of Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester
The XLogP value of 6.3 indicates that Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester. Following Lipinski's Rule of Five, Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester?
The CAS number of Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester is 67679-29-2.
What is the molecular formula of Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester?
The molecular formula of Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester is C25H22ClNO4.
What is the molecular weight of Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester?
The molecular weight of Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester is 435.12 g/mol.
Where can I buy Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester?
You can request a quote for Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, 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 Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.