Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate
TL;DR: Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate (CAS 67762-76-9) is a chemical compound with molecular formula C12H25O8P and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-bis(hydroxymethyl)-3-phosphonooxypropyl] heptanoate
Also Known As: Pentaerythritol heptanoate phosphate, Heptanoic acid, pentaerythritol, phosphorus oxychloride ester, [2,2-bis(hydroxymethyl)-3-phosphonooxypropyl] heptanoate, Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate, [2,2-bis(hydroxymethyl)-3-phosphonooxy-propyl] heptanoate
| Molecular Formula | C12H25O8P |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 328.1287 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 67762-76-9 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(CO)(CO)COP(=O)(O)O |
| InChIKey | GMYCGBILJNRXIM-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate (CAS 67762-76-9), with molecular formula C12H25O8P and molecular weight 328.13 g/mol. IUPAC: [2,2-bis(hydroxymethyl)-3-phosphonooxypropyl] heptanoate.
Chemical Property Profile of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate
Property Insights of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate
The XLogP value of -0.5 indicates that Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate. Following Lipinski's Rule of Five, Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate has 4 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 phosphate?
The CAS number of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate is 67762-76-9.
What is the molecular formula of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate?
The molecular formula of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate is C12H25O8P.
What is the molecular weight of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate?
The molecular weight of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate is 328.13 g/mol.
Where can I buy Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate?
You can request a quote for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol 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 phosphate?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.