22,25-Dihydroxyvitamin D3
TL;DR: 22,25-Dihydroxyvitamin D3 (CAS 81446-12-0) 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.
(6S)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol
Also Known As: 22,25-Dihydroxyvitamin D3, (22R)-22,25-Dihydroxyvitamin D3, (22S)-22,25-Dihydroxyvitamin D3, 22,25-(OH)2D3, (6S)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.7047 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 682.712 |
Chemical Identifiers
| CAS Number | 81446-12-0 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)C(CCC(C)(C)O)O |
Product Overview
22,25-Dihydroxyvitamin D3 (CAS 81446-12-0), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (6S)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol.
Chemical Property Profile of 22,25-Dihydroxyvitamin D3
Property Insights of 22,25-Dihydroxyvitamin D3
The XLogP value of 5.7047 indicates that 22,25-Dihydroxyvitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 22,25-Dihydroxyvitamin D3. Following Lipinski's Rule of Five, 22,25-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 22,25-Dihydroxyvitamin D3?
The CAS number of 22,25-Dihydroxyvitamin D3 is 81446-12-0.
What is the molecular formula of 22,25-Dihydroxyvitamin D3?
The molecular formula of 22,25-Dihydroxyvitamin D3 is C27H44O3.
What is the molecular weight of 22,25-Dihydroxyvitamin D3?
The molecular weight of 22,25-Dihydroxyvitamin D3 is 416.33 g/mol.
Where can I buy 22,25-Dihydroxyvitamin D3?
You can request a quote for 22,25-Dihydroxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22,25-Dihydroxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 22,25-Dihydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.