Neopentyl Glycol Diheptanoate
TL;DR: Neopentyl Glycol Diheptanoate (CAS 27841-04-9) is a chemical compound with molecular formula C19H36O4 and molecular weight 328.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-heptanoyloxy-2,2-dimethylpropyl) heptanoate
Also Known As: neopentyl glycol diheptanoate, 2,2-Dimethylpropane-1,3-diyl bisheptanoate, 2,2-dimethylpropane-1,3-diyl diheptanoate, Heptanoic acid, neopentyl glycol diester, Heptanoic acid, 2,2-dimethyl-1,3-propanediyl ester
| Molecular Formula | C19H36O4 |
|---|---|
| Molecular Weight | 328.26 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 328.26135 |
| Heavy Atoms | 23 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 27841-04-9 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCC |
| InChIKey | NRTKYSGFUISGRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl Glycol Diheptanoate (CAS 27841-04-9), with molecular formula C19H36O4 and molecular weight 328.26 g/mol. IUPAC: (3-heptanoyloxy-2,2-dimethylpropyl) heptanoate.
Chemical Property Profile of Neopentyl Glycol Diheptanoate
Property Insights of Neopentyl Glycol Diheptanoate
The XLogP value of 6.1 indicates that Neopentyl Glycol Diheptanoate 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 Diheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl Glycol Diheptanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neopentyl Glycol Diheptanoate?
The CAS number of Neopentyl Glycol Diheptanoate is 27841-04-9.
What is the molecular formula of Neopentyl Glycol Diheptanoate?
The molecular formula of Neopentyl Glycol Diheptanoate is C19H36O4.
What is the molecular weight of Neopentyl Glycol Diheptanoate?
The molecular weight of Neopentyl Glycol Diheptanoate is 328.26 g/mol.
Where can I buy Neopentyl Glycol Diheptanoate?
You can request a quote for Neopentyl Glycol Diheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl Glycol Diheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl Glycol Diheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.