24,24-difluoro-1,25-dihydroxyvitamin D3
TL;DR: 24,24-difluoro-1,25-dihydroxyvitamin D3 (CAS 72696-49-2) 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.
trans-(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,5-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: 24,24-difluorocalcitriol, 24,24-Difluoro-1,25-dihydroxyvitamin D3, F2-1,25(OH)2D3, 24,24-Difluoro-1alpha,25-dihydroxyvitamin D3, (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,5-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
| Molecular Formula | C27H42F2O3 |
|---|---|
| Molecular Weight | 452.31 g/mol |
| LogP | 5.9499 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.3102 |
| Heavy Atoms | 32 |
| Complexity | 763.3534 |
Chemical Identifiers
| CAS Number | 72696-49-2 |
|---|---|
| SMILES | C[C@H](CCC(C(C)(C)O)(F)F)[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
24,24-difluoro-1,25-dihydroxyvitamin D3 (CAS 72696-49-2), with molecular formula C27H42F2O3 and molecular weight 452.31 g/mol. IUPAC: trans-(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,5-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 24,24-difluoro-1,25-dihydroxyvitamin D3
Property Insights of 24,24-difluoro-1,25-dihydroxyvitamin D3
The XLogP value of 5.9499 indicates that 24,24-difluoro-1,25-dihydroxyvitamin 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 24,24-difluoro-1,25-dihydroxyvitamin D3. Following Lipinski's Rule of Five, 24,24-difluoro-1,25-dihydroxyvitamin 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 24,24-difluoro-1,25-dihydroxyvitamin D3?
The CAS number of 24,24-difluoro-1,25-dihydroxyvitamin D3 is 72696-49-2.
What is the molecular formula of 24,24-difluoro-1,25-dihydroxyvitamin D3?
The molecular formula of 24,24-difluoro-1,25-dihydroxyvitamin D3 is C27H42F2O3.
What is the molecular weight of 24,24-difluoro-1,25-dihydroxyvitamin D3?
The molecular weight of 24,24-difluoro-1,25-dihydroxyvitamin D3 is 452.31 g/mol.
Where can I buy 24,24-difluoro-1,25-dihydroxyvitamin D3?
You can request a quote for 24,24-difluoro-1,25-dihydroxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 24,24-difluoro-1,25-dihydroxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 24,24-difluoro-1,25-dihydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.