Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate
TL;DR: Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate (CAS 71820-28-5) is a chemical compound with molecular formula C20H41O8P and molecular weight 440.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dibutoxyphosphoryloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] heptanoate
Also Known As: Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate, [2-(dibutoxyphosphoryloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] heptanoate, 2-{[(DIBUTOXYPHOSPHORYL)OXY]METHYL}-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL HEPTANOATE, RefChem:145680
| Molecular Formula | C20H41O8P |
|---|---|
| Molecular Weight | 440.25 g/mol |
| LogP | 4.2291 |
| Topological Polar Surface Area | 111.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 440.2539 |
| Heavy Atoms | 29 |
| Complexity | 439.76215 |
Chemical Identifiers
| CAS Number | 71820-28-5 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(CO)(CO)COP(=O)(OCCCC)OCCCC |
Product Overview
Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate (CAS 71820-28-5), with molecular formula C20H41O8P and molecular weight 440.25 g/mol. IUPAC: [2-(dibutoxyphosphoryloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] heptanoate.
Chemical Property Profile of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate
Property Insights of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate
The XLogP value of 4.2291 indicates that Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate. Following Lipinski's Rule of Five, Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate has 2 hydrogen bond donor(s) and 8 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 Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate?
The CAS number of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate is 71820-28-5.
What is the molecular formula of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate?
The molecular formula of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate is C20H41O8P.
What is the molecular weight of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate?
The molecular weight of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate is 440.25 g/mol.
Where can I buy Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate?
You can request a quote for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol dibutyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.