1-Hydroxy-25-fluorovitamin D3
TL;DR: 1-Hydroxy-25-fluorovitamin D3 (CAS 64164-40-5) is a chemical compound with molecular formula C27H43FO2 and molecular weight 418.32 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)-6-fluoro-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: 1-Hydroxy-25-fluorovitamin D3, 1-hydroxy-25-fluorovitaminD3, 1alpha-Hydroxy-25-fluorovitamin D3, 1 alpha-hydroxy-25-fluorovitamin D3, 25-Fluoro-1alpha-hydroxyvitamin D3/25-fluoro-1alpha-hydroxycholecalciferol
| Molecular Formula | C27H43FO2 |
|---|---|
| Molecular Weight | 418.32 g/mol |
| LogP | 6.6819 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.3247 |
| Heavy Atoms | 30 |
| Complexity | 685.46686 |
Chemical Identifiers
| CAS Number | 64164-40-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)F)[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-Hydroxy-25-fluorovitamin D3 (CAS 64164-40-5), with molecular formula C27H43FO2 and molecular weight 418.32 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-fluoro-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-Hydroxy-25-fluorovitamin D3
Property Insights of 1-Hydroxy-25-fluorovitamin D3
The XLogP value of 6.6819 indicates that 1-Hydroxy-25-fluorovitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 1-Hydroxy-25-fluorovitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-25-fluorovitamin D3 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hydroxy-25-fluorovitamin D3?
The CAS number of 1-Hydroxy-25-fluorovitamin D3 is 64164-40-5.
What is the molecular formula of 1-Hydroxy-25-fluorovitamin D3?
The molecular formula of 1-Hydroxy-25-fluorovitamin D3 is C27H43FO2.
What is the molecular weight of 1-Hydroxy-25-fluorovitamin D3?
The molecular weight of 1-Hydroxy-25-fluorovitamin D3 is 418.32 g/mol.
Where can I buy 1-Hydroxy-25-fluorovitamin D3?
You can request a quote for 1-Hydroxy-25-fluorovitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-25-fluorovitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-25-fluorovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.