22-Fluorovitamin D3
TL;DR: 22-Fluorovitamin D3 (CAS 110536-31-7) 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.
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-3-fluoro-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-Fluorovitamin D3, (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-3-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, 9,10-Secocholesta-5,7,10(19)-trien-3-ol, 22-fluoro-, (3beta,5Z,7E)-, 9,10-Secocholesta-5,7,10(19)-trien-3-ol,22-fluoro-,(3beta,5Z,7E), RefChem:89708
| Molecular Formula | C27H43FO |
|---|---|
| Molecular Weight | 402.33 g/mol |
| LogP | 7.567 |
| 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 | 644.9232 |
Chemical Identifiers
| CAS Number | 110536-31-7 |
|---|---|
| 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(CCC(C)C)F |
Product Overview
22-Fluorovitamin D3 (CAS 110536-31-7), with molecular formula C27H43FO and molecular weight 402.33 g/mol. IUPAC: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-3-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol.
Chemical Property Profile of 22-Fluorovitamin D3
Property Insights of 22-Fluorovitamin D3
The XLogP value of 7.567 indicates that 22-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, 22-Fluorovitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 22-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 22-Fluorovitamin D3?
The CAS number of 22-Fluorovitamin D3 is 110536-31-7.
What is the molecular formula of 22-Fluorovitamin D3?
The molecular formula of 22-Fluorovitamin D3 is C27H43FO.
What is the molecular weight of 22-Fluorovitamin D3?
The molecular weight of 22-Fluorovitamin D3 is 402.33 g/mol.
Where can I buy 22-Fluorovitamin D3?
You can request a quote for 22-Fluorovitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-Fluorovitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 22-Fluorovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.