1,24-Dihydroxy-25-fluorovitamin D3
TL;DR: 1,24-Dihydroxy-25-fluorovitamin D3 (CAS 71699-09-7) is a chemical compound with molecular formula C27H43FO3 and molecular weight 434.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-6-fluoro-5-hydroxy-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: 1,24-Dihydroxy-25-fluorovitamin D3, 1alpha,24-Dihydroxy-25-fluorovitamin D(3), (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-6-fluoro-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, 9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, 25-fluoro-, (1alpha,3beta,5Z,7E,24R)-
| Molecular Formula | C27H43FO3 |
|---|---|
| Molecular Weight | 434.32 g/mol |
| LogP | 5.6527 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.3196 |
| Heavy Atoms | 31 |
| Complexity | 718.4834 |
Chemical Identifiers
| CAS Number | 71699-09-7 |
|---|---|
| SMILES | C[C@H](CC[C@H](C(C)(C)F)O)[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
1,24-Dihydroxy-25-fluorovitamin D3 (CAS 71699-09-7), with molecular formula C27H43FO3 and molecular weight 434.32 g/mol. IUPAC: trans-(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-6-fluoro-5-hydroxy-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 1,24-Dihydroxy-25-fluorovitamin D3
Property Insights of 1,24-Dihydroxy-25-fluorovitamin D3
The XLogP value of 5.6527 indicates that 1,24-Dihydroxy-25-fluorovitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,24-Dihydroxy-25-fluorovitamin D3. Following Lipinski's Rule of Five, 1,24-Dihydroxy-25-fluorovitamin D3 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,24-Dihydroxy-25-fluorovitamin D3?
The CAS number of 1,24-Dihydroxy-25-fluorovitamin D3 is 71699-09-7.
What is the molecular formula of 1,24-Dihydroxy-25-fluorovitamin D3?
The molecular formula of 1,24-Dihydroxy-25-fluorovitamin D3 is C27H43FO3.
What is the molecular weight of 1,24-Dihydroxy-25-fluorovitamin D3?
The molecular weight of 1,24-Dihydroxy-25-fluorovitamin D3 is 434.32 g/mol.
Where can I buy 1,24-Dihydroxy-25-fluorovitamin D3?
You can request a quote for 1,24-Dihydroxy-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 1,24-Dihydroxy-25-fluorovitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,24-Dihydroxy-25-fluorovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.