(3-Phenoxyphenyl) 3,3-dimethylbutanoate
TL;DR: (3-Phenoxyphenyl) 3,3-dimethylbutanoate (CAS 98992-27-9) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl) 3,3-dimethylbutanoate
Also Known As: (3-phenoxyphenyl) 3,3-dimethylbutanoate, 3-phenoxyphenyl 3,3-dimethylbutanoate
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 98992-27-9 |
|---|---|
| SMILES | CC(C)(C)CC(=O)OC1=CC=CC(=C1)OC2=CC=CC=C2 |
| InChIKey | OCGVJFFDKHFVOQ-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl) 3,3-dimethylbutanoate (CAS 98992-27-9), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (3-phenoxyphenyl) 3,3-dimethylbutanoate.
Chemical Property Profile of (3-Phenoxyphenyl) 3,3-dimethylbutanoate
Property Insights of (3-Phenoxyphenyl) 3,3-dimethylbutanoate
The XLogP value of 4.9 indicates that (3-Phenoxyphenyl) 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) 3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl) 3,3-dimethylbutanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Phenoxyphenyl) 3,3-dimethylbutanoate?
The CAS number of (3-Phenoxyphenyl) 3,3-dimethylbutanoate is 98992-27-9.
What is the molecular formula of (3-Phenoxyphenyl) 3,3-dimethylbutanoate?
The molecular formula of (3-Phenoxyphenyl) 3,3-dimethylbutanoate is C18H20O3.
What is the molecular weight of (3-Phenoxyphenyl) 3,3-dimethylbutanoate?
The molecular weight of (3-Phenoxyphenyl) 3,3-dimethylbutanoate is 284.14 g/mol.
Where can I buy (3-Phenoxyphenyl) 3,3-dimethylbutanoate?
You can request a quote for (3-Phenoxyphenyl) 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) 3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl) 3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.