Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
TL;DR: Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester (CAS 112474-06-3) is a chemical compound with molecular formula C23H30O3 and molecular weight 354.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 5-methyl-2-propan-2-ylhexanoate
Also Known As: (3-phenoxyphenyl)methyl 5-methyl-2-propan-2-ylhexanoate, Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (3-Phenoxyphenyl)methyl 5-methyl-2-(propan-2-yl)hexanoate, (3-phenoxyphenyl)methyl 5-methyl-2-propan-2-yl-hexanoate
| Molecular Formula | C23H30O3 |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 354.21948 |
| Heavy Atoms | 26 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 112474-06-3 |
|---|---|
| SMILES | CC(C)CCC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | CJXJIZUIJVJHME-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester (CAS 112474-06-3), with molecular formula C23H30O3 and molecular weight 354.22 g/mol. IUPAC: (3-phenoxyphenyl)methyl 5-methyl-2-propan-2-ylhexanoate.
Chemical Property Profile of Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
Property Insights of Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
The XLogP value of 6.7 indicates that Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (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 35.5 Ų, Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The CAS number of Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is 112474-06-3.
What is the molecular formula of Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The molecular formula of Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is C23H30O3.
What is the molecular weight of Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The molecular weight of Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is 354.22 g/mol.
Where can I buy Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
You can request a quote for Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (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 Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 5-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.