Neopentane-1,1-diol diacetate
TL;DR: Neopentane-1,1-diol diacetate (CAS 64847-79-6) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-2,2-dimethylpropyl) acetate
Also Known As: Neopentane-1,1-diol diacetate, 2,2-dimethylpropane-1,1-diyl diacetate, (1-acetyloxy-2,2-dimethylpropyl) acetate, 1-(Acetyloxy)-2,2-dimethylpropyl acetate, 1-(Acetyloxy)-2,2-dimethylpropyl acetate #
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 64847-79-6 |
|---|---|
| SMILES | CC(=O)OC(C(C)(C)C)OC(=O)C |
| InChIKey | PLEQEEMLVNMKFO-UHFFFAOYSA-N |
Product Overview
Neopentane-1,1-diol diacetate (CAS 64847-79-6), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: (1-acetyloxy-2,2-dimethylpropyl) acetate.
Chemical Property Profile of Neopentane-1,1-diol diacetate
Property Insights of Neopentane-1,1-diol diacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopentane-1,1-diol diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Neopentane-1,1-diol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentane-1,1-diol diacetate has 0 hydrogen bond donor(s) and 4 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 Neopentane-1,1-diol diacetate?
The CAS number of Neopentane-1,1-diol diacetate is 64847-79-6.
What is the molecular formula of Neopentane-1,1-diol diacetate?
The molecular formula of Neopentane-1,1-diol diacetate is C9H16O4.
What is the molecular weight of Neopentane-1,1-diol diacetate?
The molecular weight of Neopentane-1,1-diol diacetate is 188.10 g/mol.
Where can I buy Neopentane-1,1-diol diacetate?
You can request a quote for Neopentane-1,1-diol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentane-1,1-diol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Neopentane-1,1-diol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.