1,23,25-Trihydroxy-24-oxo-vitamin D3
TL;DR: 1,23,25-Trihydroxy-24-oxo-vitamin D3 (CAS 87147-48-6) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one
Also Known As: 1,23,25-Tov, 1,23,25-Trihydroxy-24-oxocholecalciferol, 1,23,25-Trihydroxy-24-oxo-vitamin D3, (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one, 9,10-Secocholesta-5,7,10(19)-trien-24-one, 1,3,23,25-tetrahydroxy-, (1alpha,3beta,5Z,7E)-
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 3.8545 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 788.35864 |
Chemical Identifiers
| CAS Number | 87147-48-6 |
|---|---|
| SMILES | C[C@H](CC(C(=O)C(C)(C)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-Trihydroxy-24-oxo-vitamin D3 (CAS 87147-48-6), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one.
Chemical Property Profile of 1,23,25-Trihydroxy-24-oxo-vitamin D3
Property Insights of 1,23,25-Trihydroxy-24-oxo-vitamin D3
The XLogP value of 3.8545 indicates that 1,23,25-Trihydroxy-24-oxo-vitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,23,25-Trihydroxy-24-oxo-vitamin D3. Following Lipinski's Rule of Five, 1,23,25-Trihydroxy-24-oxo-vitamin D3 has 4 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-Trihydroxy-24-oxo-vitamin D3?
The CAS number of 1,23,25-Trihydroxy-24-oxo-vitamin D3 is 87147-48-6.
What is the molecular formula of 1,23,25-Trihydroxy-24-oxo-vitamin D3?
The molecular formula of 1,23,25-Trihydroxy-24-oxo-vitamin D3 is C27H42O5.
What is the molecular weight of 1,23,25-Trihydroxy-24-oxo-vitamin D3?
The molecular weight of 1,23,25-Trihydroxy-24-oxo-vitamin D3 is 446.30 g/mol.
Where can I buy 1,23,25-Trihydroxy-24-oxo-vitamin D3?
You can request a quote for 1,23,25-Trihydroxy-24-oxo-vitamin 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-Trihydroxy-24-oxo-vitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,23,25-Trihydroxy-24-oxo-vitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.