1,25,26-Trihydroxyvitamin D3
TL;DR: 1,25,26-Trihydroxyvitamin D3 (CAS 78780-98-0) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6,7-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 1alpha,25,26-Trihydroxyvitamin D3, 1,25,26-Trihydroxyvitamin D3, 1,25,26-Ohd3, 1,25(S),26-Trihydroxycholecalciferol, 1alpha,25(S),26-Trihydroxycholecalciferol
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 4.6771 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 706.025 |
Chemical Identifiers
| CAS Number | 78780-98-0 |
|---|---|
| SMILES | C[C@H](CCC[C@@](C)(CO)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C |
Product Overview
1,25,26-Trihydroxyvitamin D3 (CAS 78780-98-0), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6,7-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 1,25,26-Trihydroxyvitamin D3
Property Insights of 1,25,26-Trihydroxyvitamin D3
The XLogP value of 4.6771 indicates that 1,25,26-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 1,25,26-Trihydroxyvitamin D3. Following Lipinski's Rule of Five, 1,25,26-Trihydroxyvitamin D3 has 4 hydrogen bond donor(s) and 4 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 1,25,26-Trihydroxyvitamin D3?
The CAS number of 1,25,26-Trihydroxyvitamin D3 is 78780-98-0.
What is the molecular formula of 1,25,26-Trihydroxyvitamin D3?
The molecular formula of 1,25,26-Trihydroxyvitamin D3 is C27H44O4.
What is the molecular weight of 1,25,26-Trihydroxyvitamin D3?
The molecular weight of 1,25,26-Trihydroxyvitamin D3 is 432.32 g/mol.
Where can I buy 1,25,26-Trihydroxyvitamin D3?
You can request a quote for 1,25,26-Trihydroxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,25,26-Trihydroxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,25,26-Trihydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.