Neopentyl benzoate
TL;DR: Neopentyl benzoate (CAS 5175-92-8) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl benzoate
Also Known As: Neopentyl benzoate, 2,2-dimethylpropyl benzoate, Neopentyl benzoate #, Benzoic acid neopentyl ester, Benzoicacidneopentylester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 5175-92-8 |
|---|---|
| SMILES | CC(C)(C)COC(=O)C1=CC=CC=C1 |
| InChIKey | ZBPDCWGVJKTGND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl benzoate (CAS 5175-92-8), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2,2-dimethylpropyl benzoate.
Chemical Property Profile of Neopentyl benzoate
Property Insights of Neopentyl benzoate
The XLogP value of 4.0 indicates that Neopentyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Neopentyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl benzoate 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 Neopentyl benzoate?
The CAS number of Neopentyl benzoate is 5175-92-8.
What is the molecular formula of Neopentyl benzoate?
The molecular formula of Neopentyl benzoate is C12H16O2.
What is the molecular weight of Neopentyl benzoate?
The molecular weight of Neopentyl benzoate is 192.12 g/mol.
Where can I buy Neopentyl benzoate?
You can request a quote for Neopentyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.