2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester
TL;DR: 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester (CAS 67258-86-0) 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.
(4-phenylmethoxyphenyl) 2,2-dimethylpropanoate
Also Known As: 4-(benzyloxy)phenyl pivalate, 4-(benzyloxy)phenyl 2,2-dimethylpropanoate, (4-phenylmethoxyphenyl) 2,2-dimethylpropanoate, 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester, p-(benzyloxy)phenyl 2,2-dimethylpropionate
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 4.5 |
| 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 | 318.0 |
Chemical Identifiers
| CAS Number | 67258-86-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2 |
| InChIKey | YOCHWZIIVKJIAX-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester (CAS 67258-86-0), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (4-phenylmethoxyphenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester
Property Insights of 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester
The XLogP value of 4.5 indicates that 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl 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, 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester 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 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester?
The CAS number of 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester is 67258-86-0.
What is the molecular formula of 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester?
The molecular formula of 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester is C18H20O3.
What is the molecular weight of 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester?
The molecular weight of 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester is 284.14 g/mol.
Where can I buy 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester?
You can request a quote for 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.