26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3
TL;DR: 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 (CAS 114489-80-4) is a chemical compound with molecular formula C27H38F6O4 and molecular weight 540.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-4,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 26-HFTH-vitamin D3, 5H,6H-PERFLUORODEC-5-ENE, 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3, (1R,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-4,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, 26,26,26,27,27,27-hexafluoro-1alpha,23S,25-trihydroxyvitamin D3
| Molecular Formula | C27H38F6O4 |
|---|---|
| Molecular Weight | 540.27 g/mol |
| LogP | 5.7603 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.26746 |
| Heavy Atoms | 37 |
| Complexity | 893.55286 |
Chemical Identifiers
| CAS Number | 114489-80-4 |
|---|---|
| SMILES | C[C@H](CC(CC(C(F)(F)F)(C(F)(F)F)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)O)C |
Product Overview
26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 (CAS 114489-80-4), with molecular formula C27H38F6O4 and molecular weight 540.27 g/mol. IUPAC: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-4,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3
Property Insights of 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3
The XLogP value of 5.7603 indicates that 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3. Following Lipinski's Rule of Five, 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3?
The CAS number of 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 is 114489-80-4.
What is the molecular formula of 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3?
The molecular formula of 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 is C27H38F6O4.
What is the molecular weight of 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3?
The molecular weight of 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 is 540.27 g/mol.
Where can I buy 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3?
You can request a quote for 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.