Magnesium dehydrocholate
TL;DR: Magnesium dehydrocholate (CAS 7786-84-7) is a chemical compound with molecular formula C48H66MgO10 and molecular weight 826.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium bis((4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate)
Also Known As: Magnesium dehydrocholate, dehydrocholic acid, C24H34O5.1/2Mg, C24-H34-O5.1/2Mg, MAGNESIUM DEHYDROCHOLATE [WHO-DD]
| Molecular Formula | C48H66MgO10 |
|---|---|
| Molecular Weight | 826.45 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 826.4506 |
| Heavy Atoms | 59 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 7786-84-7 |
|---|---|
| SMILES | C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C.C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C.[Mg+2] |
| InChIKey | JKWGGYRLJAHBMT-IOTIMKOBSA-L |
Product Overview
Magnesium dehydrocholate (CAS 7786-84-7), with molecular formula C48H66MgO10 and molecular weight 826.45 g/mol. IUPAC: magnesium bis((4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate).
Chemical Property Profile of Magnesium dehydrocholate
Property Insights of Magnesium dehydrocholate
The XLogP value of 5.1 indicates that Magnesium dehydrocholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting Magnesium dehydrocholate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Magnesium dehydrocholate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Magnesium dehydrocholate?
The CAS number of Magnesium dehydrocholate is 7786-84-7.
What is the molecular formula of Magnesium dehydrocholate?
The molecular formula of Magnesium dehydrocholate is C48H66MgO10.
What is the molecular weight of Magnesium dehydrocholate?
The molecular weight of Magnesium dehydrocholate is 826.45 g/mol.
Where can I buy Magnesium dehydrocholate?
You can request a quote for Magnesium dehydrocholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Magnesium dehydrocholate?
Yes, KEHONG BIO provides custom synthesis services for Magnesium dehydrocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.