2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯
TL;DR: 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 (CAS 15834-04-5) is a chemical compound with molecular formula C25H44O8 and molecular weight 472.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯
[3-pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] pentanoate
Also Known As: Pentaerythritol tetravalerate, Pentaerythritol valerate, pentaerythritol tetrapentanoate, pentaerythritol tetrapetanoate, 2,2-BIS[[(1-OXOPENTYL)OXY]METHYL]PROPANE-1,3-DIYL DIVALERATE
| Molecular Formula | C25H44O8 |
|---|---|
| Molecular Weight | 472.30 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Exact Mass | 472.30362 |
| Heavy Atoms | 33 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 15834-04-5 |
|---|---|
| SMILES | CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC |
| InChIKey | ZQYCVIGMGPFQQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 (CAS 15834-04-5), with molecular formula C25H44O8 and molecular weight 472.30 g/mol. IUPAC: [3-pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] pentanoate.
Chemical Property Profile of 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯
Property Insights of 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯
The XLogP value of 5.4 indicates that 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯. Following Lipinski's Rule of Five, 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯?
The CAS number of 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 is 15834-04-5.
What is the molecular formula of 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯?
The molecular formula of 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 is C25H44O8.
What is the molecular weight of 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯?
The molecular weight of 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 is 472.30 g/mol.
Where can I buy 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯?
You can request a quote for 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-双(((戊酰基)氧)甲基)-1,3-丙二醇二戊酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.