1-alpha, 25-Difluorovitamin D3
TL;DR: 1-alpha, 25-Difluorovitamin D3 (CAS 78609-64-0) is a chemical compound with molecular formula C27H42F2O and molecular weight 420.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1S,3Z,5R)-3-[(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]-5-fluoro-4-methylidenecyclohexan-1-ol
Also Known As: 1-alpha, 25-Difluorovitamin D3, (1S,3Z,5R)-3-[(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]-5-fluoro-4-methylidenecyclohexan-1-ol, 1alpha,25-difluorovitamin D3 / 1alpha,25-difluorocholecalciferol, 9,10-Secocholesta-5,7,10(19)-trien-3-ol, 1,25-difluoro-, (1alpha,3beta,5Z,7E)-, RefChem:74844
| Molecular Formula | C27H42F2O |
|---|---|
| Molecular Weight | 420.32 g/mol |
| LogP | 7.6591 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.32037 |
| Heavy Atoms | 30 |
| Complexity | 685.46686 |
Chemical Identifiers
| CAS Number | 78609-64-0 |
|---|---|
| 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)F)O)C |
Product Overview
1-alpha, 25-Difluorovitamin D3 (CAS 78609-64-0), with molecular formula C27H42F2O and molecular weight 420.32 g/mol. IUPAC: trans-(1S,3Z,5R)-3-[(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]-5-fluoro-4-methylidenecyclohexan-1-ol.
Chemical Property Profile of 1-alpha, 25-Difluorovitamin D3
Property Insights of 1-alpha, 25-Difluorovitamin D3
The XLogP value of 7.6591 indicates that 1-alpha, 25-Difluorovitamin 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, 1-alpha, 25-Difluorovitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-alpha, 25-Difluorovitamin 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 1-alpha, 25-Difluorovitamin D3?
The CAS number of 1-alpha, 25-Difluorovitamin D3 is 78609-64-0.
What is the molecular formula of 1-alpha, 25-Difluorovitamin D3?
The molecular formula of 1-alpha, 25-Difluorovitamin D3 is C27H42F2O.
What is the molecular weight of 1-alpha, 25-Difluorovitamin D3?
The molecular weight of 1-alpha, 25-Difluorovitamin D3 is 420.32 g/mol.
Where can I buy 1-alpha, 25-Difluorovitamin D3?
You can request a quote for 1-alpha, 25-Difluorovitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-alpha, 25-Difluorovitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha, 25-Difluorovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.