Neopentyl pivalate
TL;DR: Neopentyl pivalate (CAS 5900-56-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl 2,2-dimethylpropanoate
Also Known As: neopentyl pivalate, 2,2-dimethylpropyl pivalate, neopentyl neopentanoate, NEO-PENTYLPIVALATE, neopentyl trimethylacetate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 5900-56-1 |
|---|---|
| SMILES | CC(C)(C)COC(=O)C(C)(C)C |
| InChIKey | KEVRVUAKQLMNFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl pivalate (CAS 5900-56-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2,2-dimethylpropyl 2,2-dimethylpropanoate.
Chemical Property Profile of Neopentyl pivalate
Property Insights of Neopentyl pivalate
The XLogP value of 3.2 indicates that Neopentyl pivalate 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 pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl pivalate 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 pivalate?
The CAS number of Neopentyl pivalate is 5900-56-1.
What is the molecular formula of Neopentyl pivalate?
The molecular formula of Neopentyl pivalate is C10H20O2.
What is the molecular weight of Neopentyl pivalate?
The molecular weight of Neopentyl pivalate is 172.15 g/mol.
Where can I buy Neopentyl pivalate?
You can request a quote for Neopentyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.