6-Fluorovitamin D3
TL;DR: 6-Fluorovitamin D3 (CAS 91625-75-1) is a chemical compound with molecular formula C27H43FO and molecular weight 402.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3E)-3-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]-1-fluoroethylidene]-4-methylidenecyclohexan-1-ol
Also Known As: 6-Fluorovitamin D3, 6-Fluoro-vitamin D3, (1S,3E)-3-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]-1-fluoroethylidene]-4-methylidenecyclohexan-1-ol, 9,10-Secocholesta-5,7,10(19)-trien-3-ol, 6-fluoro-, (3beta,5E,7E)-, (1S,3E)-3-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]-1-luoroethylidene]-4-methylidenecyclohexan-1-ol
| Molecular Formula | C27H43FO |
|---|---|
| Molecular Weight | 402.33 g/mol |
| LogP | 7.9162 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.3298 |
| Heavy Atoms | 29 |
| Complexity | 657.449 |
Chemical Identifiers
| CAS Number | 91625-75-1 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(C/C(=C/C(=C\3/C[C@H](CCC3=C)O)/F)/CC2)C |
Product Overview
6-Fluorovitamin D3 (CAS 91625-75-1), with molecular formula C27H43FO and molecular weight 402.33 g/mol. IUPAC: (1S,3E)-3-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]-1-fluoroethylidene]-4-methylidenecyclohexan-1-ol.
Chemical Property Profile of 6-Fluorovitamin D3
Property Insights of 6-Fluorovitamin D3
The XLogP value of 7.9162 indicates that 6-Fluorovitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 6-Fluorovitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluorovitamin D3 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Fluorovitamin D3?
The CAS number of 6-Fluorovitamin D3 is 91625-75-1.
What is the molecular formula of 6-Fluorovitamin D3?
The molecular formula of 6-Fluorovitamin D3 is C27H43FO.
What is the molecular weight of 6-Fluorovitamin D3?
The molecular weight of 6-Fluorovitamin D3 is 402.33 g/mol.
Where can I buy 6-Fluorovitamin D3?
You can request a quote for 6-Fluorovitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluorovitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluorovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.