1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate
TL;DR: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate (CAS 70776-02-2) is a chemical compound with molecular formula C34H62O8 and molecular weight 598.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hexanoyloxymethyl)-2-(octanoyloxymethyl)-3-pentanoyloxypropyl] decanoate
Also Known As: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate, Decanoic acid mixed esters with hexanoic acid octanoic acid pentaerythritol and valeric acid, Decanoic acid, mixed esters with hexanoic acid, octanoic acid, pentaerythritol and valeric acid, [2-(hexanoyloxymethyl)-2-(octanoyloxymethyl)-3-pentanoyloxypropyl] decanoate, 2-[(Hexanoyloxy)methyl]-2-[(octanoyloxy)methyl]-3-(pentanoyloxy)propyl decanoate
| Molecular Formula | C34H62O8 |
|---|---|
| Molecular Weight | 598.44 g/mol |
| LogP | 8.4173 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 29 |
| Exact Mass | 598.44446 |
| Heavy Atoms | 42 |
| Complexity | 707.65546 |
Chemical Identifiers
| CAS Number | 70776-02-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCCC)COC(=O)CCCCCCC |
Product Overview
1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate (CAS 70776-02-2), with molecular formula C34H62O8 and molecular weight 598.44 g/mol. IUPAC: [2-(hexanoyloxymethyl)-2-(octanoyloxymethyl)-3-pentanoyloxypropyl] decanoate.
Chemical Property Profile of 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate
Property Insights of 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate
The XLogP value of 8.4173 indicates that 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate 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 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate?
The CAS number of 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate is 70776-02-2.
What is the molecular formula of 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate?
The molecular formula of 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate is C34H62O8.
What is the molecular weight of 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate?
The molecular weight of 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate is 598.44 g/mol.
Where can I buy 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate?
You can request a quote for 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.