21,25-Dihydroxycholecalciferol
TL;DR: 21,25-Dihydroxycholecalciferol (CAS 26369-40-4) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-6-methylheptane-1,6-diol
Also Known As: 21,25-Dihydroxycholecalciferol
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 26369-40-4 |
|---|---|
| SMILES | CC12CCCC(=CC=C3CC(CCC3=C)O)C1CCC2C(CCCC(C)(C)O)CO |
| InChIKey | XQUHVEXHYYGYKG-UHFFFAOYSA-N |
Product Overview
21,25-Dihydroxycholecalciferol (CAS 26369-40-4), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: 2-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-6-methylheptane-1,6-diol.
Chemical Property Profile of 21,25-Dihydroxycholecalciferol
Property Insights of 21,25-Dihydroxycholecalciferol
The XLogP value of 4.8 indicates that 21,25-Dihydroxycholecalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 21,25-Dihydroxycholecalciferol. Following Lipinski's Rule of Five, 21,25-Dihydroxycholecalciferol has 3 hydrogen bond donor(s) and 3 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 21,25-Dihydroxycholecalciferol?
The CAS number of 21,25-Dihydroxycholecalciferol is 26369-40-4.
What is the molecular formula of 21,25-Dihydroxycholecalciferol?
The molecular formula of 21,25-Dihydroxycholecalciferol is C27H44O3.
What is the molecular weight of 21,25-Dihydroxycholecalciferol?
The molecular weight of 21,25-Dihydroxycholecalciferol is 416.33 g/mol.
Where can I buy 21,25-Dihydroxycholecalciferol?
You can request a quote for 21,25-Dihydroxycholecalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21,25-Dihydroxycholecalciferol?
Yes, KEHONG BIO provides custom synthesis services for 21,25-Dihydroxycholecalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.