Gemcabene Calcium
TL;DR: Gemcabene Calcium (CAS 209789-08-2) is a chemical compound with molecular formula C16H28CaO5 and molecular weight 340.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 6-(5-carboxylato-5-methylhexoxy)-2,2-dimethylhexanoate
Also Known As: Gemcabene calcium, Gemcabene (calcium), Gemcabene calcium [USAN], Gemcabene calcium (USAN), Calcium 6,6'-oxybis(2,2-dimethylhexanoate)
| Molecular Formula | C16H28CaO5 |
|---|---|
| Molecular Weight | 340.16 g/mol |
| LogP | 0.515 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 340.15625 |
| Heavy Atoms | 22 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 209789-08-2 |
|---|---|
| SMILES | CC(C)(CCCCOCCCCC(C)(C)C(=O)[O-])C(=O)[O-].[Ca+2] |
| InChIKey | ZJKZKKPIKDNHDM-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gemcabene Calcium (CAS 209789-08-2), with molecular formula C16H28CaO5 and molecular weight 340.16 g/mol. IUPAC: calcium 6-(5-carboxylato-5-methylhexoxy)-2,2-dimethylhexanoate.
Chemical Property Profile of Gemcabene Calcium
Property Insights of Gemcabene Calcium
The XLogP value of 0.515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gemcabene Calcium. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Gemcabene Calcium. Following Lipinski's Rule of Five, Gemcabene Calcium has 0 hydrogen bond donor(s) and 5 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 Gemcabene Calcium?
The CAS number of Gemcabene Calcium is 209789-08-2.
What is the molecular formula of Gemcabene Calcium?
The molecular formula of Gemcabene Calcium is C16H28CaO5.
What is the molecular weight of Gemcabene Calcium?
The molecular weight of Gemcabene Calcium is 340.16 g/mol.
Where can I buy Gemcabene Calcium?
You can request a quote for Gemcabene Calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemcabene Calcium?
Yes, KEHONG BIO provides custom synthesis services for Gemcabene Calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.