3,11-Dihydroxyhexadecanoic acid
TL;DR: 3,11-Dihydroxyhexadecanoic acid (CAS 5456-23-5) is a chemical compound with molecular formula C6H9O8Ti- and molecular weight 256.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-diolate;2-hydroxyacetate;2-oxidoacetate;titanium(4+)
Also Known As: 3,11-Dihydroxyhexadecanoic acid, Bis-(hydroxyacetato-o1,o2)[hydroxyacetato(2-)-o1,o2]titanium, Bis(hydroxyacetato-O1,O2)(hydroxyacetato(2-)-O1,O2)titanium, acetate, 2-hydroxy- 2-olatoacetate 1,2-ethanediolate, titanium(4+) salt(1:1:1:1), ethane-1,2-diolate; 2-hydroxyacetate; 2-oxidoacetate; titanium(4+)
| Molecular Formula | C6H9O8Ti- |
|---|---|
| Molecular Weight | 256.98 g/mol |
| LogP | -7.4703 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.9777 |
| Heavy Atoms | 15 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 5456-23-5 |
|---|---|
| SMILES | C(C[O-])[O-].C(C(=O)[O-])O.C(C(=O)[O-])[O-].[Ti+4] |
| InChIKey | CDNURUFEHBQVFR-UHFFFAOYSA-L |
Product Overview
3,11-Dihydroxyhexadecanoic acid (CAS 5456-23-5), with molecular formula C6H9O8Ti- and molecular weight 256.98 g/mol. IUPAC: ethane-1,2-diolate;2-hydroxyacetate;2-oxidoacetate;titanium(4+).
Chemical Property Profile of 3,11-Dihydroxyhexadecanoic acid
Property Insights of 3,11-Dihydroxyhexadecanoic acid
The XLogP value of -7.4703 indicates that 3,11-Dihydroxyhexadecanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 3,11-Dihydroxyhexadecanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,11-Dihydroxyhexadecanoic acid has 1 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 3,11-Dihydroxyhexadecanoic acid?
The CAS number of 3,11-Dihydroxyhexadecanoic acid is 5456-23-5.
What is the molecular formula of 3,11-Dihydroxyhexadecanoic acid?
The molecular formula of 3,11-Dihydroxyhexadecanoic acid is C6H9O8Ti-.
What is the molecular weight of 3,11-Dihydroxyhexadecanoic acid?
The molecular weight of 3,11-Dihydroxyhexadecanoic acid is 256.98 g/mol.
Where can I buy 3,11-Dihydroxyhexadecanoic acid?
You can request a quote for 3,11-Dihydroxyhexadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,11-Dihydroxyhexadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,11-Dihydroxyhexadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.