Neopentyl hexanoate
TL;DR: Neopentyl hexanoate (CAS 65127-75-5) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl hexanoate
Also Known As: Neopentyl hexanoate, 2,2-dimethylpropyl hexanoate, Neopentyl hexanoate #, Hexanoic acid, 2,2-dimethylpropyl ester, J3.752.586C
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 65127-75-5 |
|---|---|
| SMILES | CCCCCC(=O)OCC(C)(C)C |
| InChIKey | SCOAFHPSYBOAGF-UHFFFAOYSA-N |
Product Overview
Neopentyl hexanoate (CAS 65127-75-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2,2-dimethylpropyl hexanoate.
Chemical Property Profile of Neopentyl hexanoate
Property Insights of Neopentyl hexanoate
The XLogP value of 3.8 indicates that Neopentyl hexanoate 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 hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl hexanoate 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 hexanoate?
The CAS number of Neopentyl hexanoate is 65127-75-5.
What is the molecular formula of Neopentyl hexanoate?
The molecular formula of Neopentyl hexanoate is C11H22O2.
What is the molecular weight of Neopentyl hexanoate?
The molecular weight of Neopentyl hexanoate is 186.16 g/mol.
Where can I buy Neopentyl hexanoate?
You can request a quote for Neopentyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.