2,2,4-Trimethylpentane-1,3-diyl dipropionate
TL;DR: 2,2,4-Trimethylpentane-1,3-diyl dipropionate (CAS 32815-92-2) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-3-propanoyloxypentyl) propanoate
Also Known As: 2,2,4-Trimethylpentane-1,3-diyl dipropionate, 2,2,4-trimethylpentane-1,3-diyl dipropanoate, 2,2,4-trimethylpentane-1,3-diyldipropionate, (2,2,4-trimethyl-3-propanoyloxypentyl) propanoate, 1,3-Pentanediol, 2,2,4-trimethyl-, dipropanoate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 32815-92-2 |
|---|---|
| SMILES | CCC(=O)OCC(C)(C)C(C(C)C)OC(=O)CC |
| InChIKey | BBXVZOFESFUKEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethylpentane-1,3-diyl dipropionate (CAS 32815-92-2), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: (2,2,4-trimethyl-3-propanoyloxypentyl) propanoate.
Chemical Property Profile of 2,2,4-Trimethylpentane-1,3-diyl dipropionate
Property Insights of 2,2,4-Trimethylpentane-1,3-diyl dipropionate
The XLogP value of 3.5 indicates that 2,2,4-Trimethylpentane-1,3-diyl dipropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2,4-Trimethylpentane-1,3-diyl dipropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethylpentane-1,3-diyl dipropionate 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 2,2,4-Trimethylpentane-1,3-diyl dipropionate?
The CAS number of 2,2,4-Trimethylpentane-1,3-diyl dipropionate is 32815-92-2.
What is the molecular formula of 2,2,4-Trimethylpentane-1,3-diyl dipropionate?
The molecular formula of 2,2,4-Trimethylpentane-1,3-diyl dipropionate is C14H26O4.
What is the molecular weight of 2,2,4-Trimethylpentane-1,3-diyl dipropionate?
The molecular weight of 2,2,4-Trimethylpentane-1,3-diyl dipropionate is 258.18 g/mol.
Where can I buy 2,2,4-Trimethylpentane-1,3-diyl dipropionate?
You can request a quote for 2,2,4-Trimethylpentane-1,3-diyl dipropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethylpentane-1,3-diyl dipropionate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethylpentane-1,3-diyl dipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.