25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol
TL;DR: 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol (CAS 83353-84-8) is a chemical compound with molecular formula C27H42O3 and molecular weight 414.31 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-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methylheptan-4-one
Also Known As: 23-keto-25-hydroxyvitaminD3, 25-hydroxy-23-oxovitamin D3 / 25-hydroxy-23-oxocholecalciferol, (5Z,7E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-23-one, (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methylheptan-4-one
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.31 g/mol |
| LogP | 5.9129 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 722.88043 |
Chemical Identifiers
| CAS Number | 83353-84-8 |
|---|---|
| SMILES | C[C@H](CC(=O)CC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C |
Product Overview
25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol (CAS 83353-84-8), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methylheptan-4-one.
Chemical Property Profile of 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol
Property Insights of 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol
The XLogP value of 5.9129 indicates that 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol has 2 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 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol?
The CAS number of 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol is 83353-84-8.
What is the molecular formula of 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol?
The molecular formula of 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol is C27H42O3.
What is the molecular weight of 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol?
The molecular weight of 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol is 414.31 g/mol.
Where can I buy 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol?
You can request a quote for 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol?
Yes, KEHONG BIO provides custom synthesis services for 25-hydroxy-23-oxovitamin D3/25-hydroxy-23-oxocholecalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.