25,26-Dihydroxyvitamin D3
TL;DR: 25,26-Dihydroxyvitamin D3 (CAS 29261-12-9) 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.
6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol
Also Known As: 25,26-Dihydroxyvitamin D3, 25,26-dihydroxycholecalciferol, (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol, 6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.1 |
| 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 | 678.0 |
Chemical Identifiers
| CAS Number | 29261-12-9 |
|---|---|
| SMILES | CC(CCCC(C)(CO)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| InChIKey | QOWCBCXATJITSI-UHFFFAOYSA-N |
Product Overview
25,26-Dihydroxyvitamin D3 (CAS 29261-12-9), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: 6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol.
Chemical Property Profile of 25,26-Dihydroxyvitamin D3
Property Insights of 25,26-Dihydroxyvitamin D3
The XLogP value of 5.1 indicates that 25,26-Dihydroxyvitamin D3 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 25,26-Dihydroxyvitamin D3. Following Lipinski's Rule of Five, 25,26-Dihydroxyvitamin D3 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 25,26-Dihydroxyvitamin D3?
The CAS number of 25,26-Dihydroxyvitamin D3 is 29261-12-9.
What is the molecular formula of 25,26-Dihydroxyvitamin D3?
The molecular formula of 25,26-Dihydroxyvitamin D3 is C27H44O3.
What is the molecular weight of 25,26-Dihydroxyvitamin D3?
The molecular weight of 25,26-Dihydroxyvitamin D3 is 416.33 g/mol.
Where can I buy 25,26-Dihydroxyvitamin D3?
You can request a quote for 25,26-Dihydroxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 25,26-Dihydroxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 25,26-Dihydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.