Neopentyl glycol dibenzoate
TL;DR: Neopentyl glycol dibenzoate (CAS 4196-89-8) is a chemical compound with molecular formula C19H20O4 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-2,2-dimethylpropyl) benzoate
Also Known As: NEOPENTYL GLYCOL DIBENZOATE, 2,2-Dimethylpropane-1,3-diyl dibenzoate, 2,2-Dimethyl-1,3-propanediol dibenzoate, 2,3-propanediol dibenzoate, NEOPENTYLGLYCOLDIBENZOATE
| Molecular Formula | C19H20O4 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.13617 |
| Heavy Atoms | 23 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 4196-89-8 |
|---|---|
| SMILES | CC(C)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2 |
| InChIKey | DYJIIMFHSZKBDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl glycol dibenzoate (CAS 4196-89-8), with molecular formula C19H20O4 and molecular weight 312.14 g/mol. IUPAC: (3-benzoyloxy-2,2-dimethylpropyl) benzoate.
Chemical Property Profile of Neopentyl glycol dibenzoate
Property Insights of Neopentyl glycol dibenzoate
The XLogP value of 4.5 indicates that Neopentyl glycol dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Neopentyl glycol dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl glycol dibenzoate 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 Neopentyl glycol dibenzoate?
The CAS number of Neopentyl glycol dibenzoate is 4196-89-8.
What is the molecular formula of Neopentyl glycol dibenzoate?
The molecular formula of Neopentyl glycol dibenzoate is C19H20O4.
What is the molecular weight of Neopentyl glycol dibenzoate?
The molecular weight of Neopentyl glycol dibenzoate is 312.14 g/mol.
Where can I buy Neopentyl glycol dibenzoate?
You can request a quote for Neopentyl glycol dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl glycol dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl glycol dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.