(3-Phenoxyphenyl)methyl 2-tert-butylhexanoate
TL;DR: (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate (CAS 112473-66-2) 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 2-tert-butylhexanoate
Also Known As: (3-phenoxyphenyl)methyl 2-tert-butylhexanoate, Hexanoic acid, 2-(1,1-dimethylethyl)-, (3-phenoxyphenyl)methyl ester
| Molecular Formula | C23H30O3 |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 6.8 |
| 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 | 406.0 |
Chemical Identifiers
| CAS Number | 112473-66-2 |
|---|---|
| SMILES | CCCCC(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)C(C)(C)C |
| InChIKey | FXEVIRQIAYBERY-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 2-tert-butylhexanoate (CAS 112473-66-2), with molecular formula C23H30O3 and molecular weight 354.22 g/mol. IUPAC: (3-phenoxyphenyl)methyl 2-tert-butylhexanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate
Property Insights of (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate
The XLogP value of 6.8 indicates that (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate 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 (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate?
The CAS number of (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate is 112473-66-2.
What is the molecular formula of (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate is C23H30O3.
What is the molecular weight of (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate is 354.22 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 2-tert-butylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.