(3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate
TL;DR: (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate (CAS 98992-26-8) is a chemical compound with molecular formula C19H22O3 and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 3,3-dimethylbutanoate
Also Known As: (3-phenoxyphenyl)methyl 3,3-dimethylbutanoate
| Molecular Formula | C19H22O3 |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1569 |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 98992-26-8 |
|---|---|
| SMILES | CC(C)(C)CC(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | CYNGMODUNGPCGC-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate (CAS 98992-26-8), with molecular formula C19H22O3 and molecular weight 298.16 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3,3-dimethylbutanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate
Property Insights of (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate
The XLogP value of 5.2 indicates that (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate 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 3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate 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 3,3-dimethylbutanoate?
The CAS number of (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate is 98992-26-8.
What is the molecular formula of (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate is C19H22O3.
What is the molecular weight of (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate is 298.16 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate 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 3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.