Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
TL;DR: Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol (CAS 11138-45-7) is a chemical compound with molecular formula C12H26O6 and molecular weight 266.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)propane-1,3-diol;heptanoic acid
Also Known As: Pentaerythritol heptanoate, Heptanoic acid, pentaerythritol ester, Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol, 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid, heptanoic acid- 2,2-bis(hydroxymethyl)propane-1,3-diol(1:1)
| Molecular Formula | C12H26O6 |
|---|---|
| Molecular Weight | 266.17 g/mol |
| LogP | -0.02 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 266.17294 |
| Heavy Atoms | 18 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 11138-45-7 |
|---|---|
| SMILES | CCCCCCC(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | MKTTVBSRYXIYCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol (CAS 11138-45-7), with molecular formula C12H26O6 and molecular weight 266.17 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;heptanoic acid.
Chemical Property Profile of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
Property Insights of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
The XLogP value of -0.02 indicates that Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol. Following Lipinski's Rule of Five, Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol has 5 hydrogen bond donor(s) and 6 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?
The CAS number of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is 11138-45-7.
What is the molecular formula of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
The molecular formula of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is C12H26O6.
What is the molecular weight of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
The molecular weight of Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is 266.17 g/mol.
Where can I buy Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
You can request a quote for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol 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?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.