(22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol
TL;DR: (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol (CAS 110927-46-3) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Also Known As: 22-Hydroxyvitamin D3, (22S)-22-hydroxyvitamin D3, (22S)-22-hydroxyvitamin D3 / (22S)-22-hydroxycholecalciferol, (5Z,7E)-(3S,22S)-9,10-seco-5,7,10(19)-cholestatriene-3,22-diol, (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-hydroxy-6-methy
Technical Specifications
| Molecular Formula | C27H44O2 |
| Molecular Weight | 400.33414 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.33414 Da |
| Heavy Atoms | 29 |
| Complexity | 643.0 |
| SMILES | C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)[C@H](CCC(C)C)O |
| InChIKey | OCHNORYGWPYCAK-NIRSYVJSSA-N |
Chemical Property Profile of (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol
Property Insights of (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol
The XLogP value of 6.4 indicates that (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol?
The CAS number of (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol is 110927-46-3.
What is the molecular formula of (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol?
The molecular formula of (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol is C27H44O2.
What is the molecular weight of (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol?
The molecular weight of (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol is 400.33414 g/mol.
Where can I buy (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol?
You can request a quote for (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol?
Yes, CoreyChem provides custom synthesis services for (22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.