Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
TL;DR: Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol (CAS 52627-55-1) is a chemical compound with molecular formula C11H22O8 and molecular weight 282.13 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;hexanedioic acid
Also Known As: Adipic acid, esters with pentaerythritol, Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol, hexanedioic acid- 2,2-bis(hydroxymethyl)propane-1,3-diol(1:1), 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid, 258-052-7
| Molecular Formula | C11H22O8 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | -1.34 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 282.13147 |
| Heavy Atoms | 19 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 52627-55-1 |
|---|---|
| SMILES | C(CCC(=O)O)CC(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | NAEDWKNFXVUORY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol (CAS 52627-55-1), with molecular formula C11H22O8 and molecular weight 282.13 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid.
Chemical Property Profile of Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
Property Insights of Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
The XLogP value of -1.34 indicates that Hexanedioic 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 156.0 Ų indicates high polarity, suggesting Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol has 6 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 Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
The CAS number of Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is 52627-55-1.
What is the molecular formula of Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
The molecular formula of Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is C11H22O8.
What is the molecular weight of Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
The molecular weight of Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is 282.13 g/mol.
Where can I buy Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
You can request a quote for Hexanedioic 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 Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.