1,23,25,26-Tetrahydroxyvitamin D3
TL;DR: 1,23,25,26-Tetrahydroxyvitamin D3 (CAS 100634-18-2) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol
Also Known As: 1,23,25,26-Tetrahydroxyvitamin D3, 1alpha,23,25,26-Tetrahydroxyvitamin D3, 1 alpha,23,25,26-tetrahydroxyvitamin D3, (5Z,7E)-(1S,3R,23S,25R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25,26-pentol, (23S,25R)-1alpha,23,25,26-tetrahydroxyvitamin D3 / (23S,25R)-1alpha,23,25,26-tetrahydroxycholecalciferol
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 3.6479 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 738.32874 |
Chemical Identifiers
| CAS Number | 100634-18-2 |
|---|---|
| SMILES | C[C@H](C[C@@H](C[C@](C)(CO)O)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
1,23,25,26-Tetrahydroxyvitamin D3 (CAS 100634-18-2), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: (2R,4S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol.
Chemical Property Profile of 1,23,25,26-Tetrahydroxyvitamin D3
Property Insights of 1,23,25,26-Tetrahydroxyvitamin D3
The XLogP value of 3.6479 indicates that 1,23,25,26-Tetrahydroxyvitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,23,25,26-Tetrahydroxyvitamin D3. Following Lipinski's Rule of Five, 1,23,25,26-Tetrahydroxyvitamin D3 has 5 hydrogen bond donor(s) and 5 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 1,23,25,26-Tetrahydroxyvitamin D3?
The CAS number of 1,23,25,26-Tetrahydroxyvitamin D3 is 100634-18-2.
What is the molecular formula of 1,23,25,26-Tetrahydroxyvitamin D3?
The molecular formula of 1,23,25,26-Tetrahydroxyvitamin D3 is C27H44O5.
What is the molecular weight of 1,23,25,26-Tetrahydroxyvitamin D3?
The molecular weight of 1,23,25,26-Tetrahydroxyvitamin D3 is 448.32 g/mol.
Where can I buy 1,23,25,26-Tetrahydroxyvitamin D3?
You can request a quote for 1,23,25,26-Tetrahydroxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,23,25,26-Tetrahydroxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,23,25,26-Tetrahydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.