1-25-dihydroxy-23,23-difluorovitaminD3
TL;DR: 1-25-dihydroxy-23,23-difluorovitaminD3 (CAS 98040-59-6) is a chemical compound with molecular formula C27H42F2O3 and molecular weight 452.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[1-(4,4-difluoro-6-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: 1-25-dihydroxy-23,23-difluorovitaminD3
| Molecular Formula | C27H42F2O3 |
|---|---|
| Molecular Weight | 452.31 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.3102 |
| Heavy Atoms | 32 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 98040-59-6 |
|---|---|
| SMILES | CC(CC(CC(C)(C)O)(F)F)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C |
| InChIKey | RULUGCIDKTYTMP-UHFFFAOYSA-N |
Product Overview
1-25-dihydroxy-23,23-difluorovitaminD3 (CAS 98040-59-6), with molecular formula C27H42F2O3 and molecular weight 452.31 g/mol. IUPAC: 5-[2-[1-(4,4-difluoro-6-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 1-25-dihydroxy-23,23-difluorovitaminD3
Property Insights of 1-25-dihydroxy-23,23-difluorovitaminD3
The XLogP value of 5.2 indicates that 1-25-dihydroxy-23,23-difluorovitaminD3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-25-dihydroxy-23,23-difluorovitaminD3. Following Lipinski's Rule of Five, 1-25-dihydroxy-23,23-difluorovitaminD3 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-25-dihydroxy-23,23-difluorovitaminD3?
The CAS number of 1-25-dihydroxy-23,23-difluorovitaminD3 is 98040-59-6.
What is the molecular formula of 1-25-dihydroxy-23,23-difluorovitaminD3?
The molecular formula of 1-25-dihydroxy-23,23-difluorovitaminD3 is C27H42F2O3.
What is the molecular weight of 1-25-dihydroxy-23,23-difluorovitaminD3?
The molecular weight of 1-25-dihydroxy-23,23-difluorovitaminD3 is 452.31 g/mol.
Where can I buy 1-25-dihydroxy-23,23-difluorovitaminD3?
You can request a quote for 1-25-dihydroxy-23,23-difluorovitaminD3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-25-dihydroxy-23,23-difluorovitaminD3?
Yes, KEHONG BIO provides custom synthesis services for 1-25-dihydroxy-23,23-difluorovitaminD3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.