Benzyl 2,2-dimethylbutanoate
TL;DR: Benzyl 2,2-dimethylbutanoate (CAS 25085-83-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,2-dimethylbutanoate
Also Known As: benzyl 2,2-dimethylbutanoate, Poly(benzyl methacrylate), Butanoic acid,2,2-dimethyl-, phenylmethyl ester, Butanoic acid,2,2-dimethyl-,phenylmethyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 25085-83-0 |
|---|---|
| SMILES | CCC(C)(C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | NOGKPRINILXHMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2,2-dimethylbutanoate (CAS 25085-83-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: benzyl 2,2-dimethylbutanoate.
Chemical Property Profile of Benzyl 2,2-dimethylbutanoate
Property Insights of Benzyl 2,2-dimethylbutanoate
The XLogP value of 3.4 indicates that Benzyl 2,2-dimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2,2-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2,2-dimethylbutanoate has 0 hydrogen bond donor(s) and 2 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 Benzyl 2,2-dimethylbutanoate?
The CAS number of Benzyl 2,2-dimethylbutanoate is 25085-83-0.
What is the molecular formula of Benzyl 2,2-dimethylbutanoate?
The molecular formula of Benzyl 2,2-dimethylbutanoate is C13H18O2.
What is the molecular weight of Benzyl 2,2-dimethylbutanoate?
The molecular weight of Benzyl 2,2-dimethylbutanoate is 206.13 g/mol.
Where can I buy Benzyl 2,2-dimethylbutanoate?
You can request a quote for Benzyl 2,2-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2,2-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,2-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.