Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester
TL;DR: Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester (CAS 112489-91-5) is a chemical compound with molecular formula C24H32O4 and molecular weight 384.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 2-hexan-2-yloxy-3-methylbutanoate
Also Known As: Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester, (3-phenoxyphenyl)methyl 2-hexan-2-yloxy-3-methyl-butanoate, (3-phenoxyphenyl)methyl 2-hexan-2-yloxy-3-methylbutanoate, (3-Phenoxyphenyl)methyl 2-[(hexan-2-yl)oxy]-3-methylbutanoate
| Molecular Formula | C24H32O4 |
|---|---|
| Molecular Weight | 384.23 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 384.23007 |
| Heavy Atoms | 28 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 112489-91-5 |
|---|---|
| SMILES | CCCCC(C)OC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | FTFPKAKZYRDOCL-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester (CAS 112489-91-5), with molecular formula C24H32O4 and molecular weight 384.23 g/mol. IUPAC: (3-phenoxyphenyl)methyl 2-hexan-2-yloxy-3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester
Property Insights of Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester
The XLogP value of 6.6 indicates that Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (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 44.8 Ų, Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (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 Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester?
The CAS number of Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester is 112489-91-5.
What is the molecular formula of Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester?
The molecular formula of Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester is C24H32O4.
What is the molecular weight of Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester?
The molecular weight of Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester is 384.23 g/mol.
Where can I buy Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester?
You can request a quote for Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (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-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(sec-hexyloxy)-3-methyl-, (3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.