2-Fluorovitamin D3
TL;DR: 2-Fluorovitamin D3 (CAS 103638-37-5) is a chemical compound with molecular formula C27H43FO and molecular weight 402.3298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(1S,2S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-fluoro-4-methylidenecyclohexan-1-ol
Also Known As: 2-Fluorovitamin D3, (1S,2S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-fluoro-4-methylidenecyclohexan-1-ol, 9,10-Secocholesta-5,7,10(19)-trien-3-ol, 2-fluoro-, (2alpha,3beta,5Z,7E)-
Technical Specifications
| Molecular Formula | C27H43FO |
| Molecular Weight | 402.3298 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.3298 Da |
| Heavy Atoms | 29 |
| Complexity | 645.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H]([C@H](CC3=C)F)O)C |
| InChIKey | BRKJGWLWZNQAQB-HUEPGBSESA-N |
Chemical Property Profile of 2-Fluorovitamin D3
Property Insights of 2-Fluorovitamin D3
The XLogP value of 8.0 indicates that 2-Fluorovitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Fluorovitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorovitamin D3 has 1 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 2-Fluorovitamin D3?
The CAS number of 2-Fluorovitamin D3 is 103638-37-5.
What is the molecular formula of 2-Fluorovitamin D3?
The molecular formula of 2-Fluorovitamin D3 is C27H43FO.
What is the molecular weight of 2-Fluorovitamin D3?
The molecular weight of 2-Fluorovitamin D3 is 402.3298 g/mol.
Where can I buy 2-Fluorovitamin D3?
You can request a quote for 2-Fluorovitamin D3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluorovitamin D3?
Yes, CoreyChem provides custom synthesis services for 2-Fluorovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.