26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3
TL;DR: 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 (CAS 119839-97-3) is a chemical compound with molecular formula C28H41F5O3 and molecular weight 520.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5Z)-5-[(2E)-2-[(7aR)-1-[(2R)-6-[difluoro(methoxy)methyl]-7,7,7-trifluoroheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: Pfhmv-D3, 26,26,26,27,27-Pentafluoro-1-hydroxy-27-methoxyvitamin D3, (1R,5Z)-5-[(2E)-2-[(7aR)-1-[(2R)-6-[difluoro(methoxy)methyl]-7,7,7-trifluoroheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, RefChem:89928
| Molecular Formula | C28H41F5O3 |
|---|---|
| Molecular Weight | 520.30 g/mol |
| LogP | 7.3515 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.2976 |
| Heavy Atoms | 36 |
| Complexity | 848.61346 |
Chemical Identifiers
| CAS Number | 119839-97-3 |
|---|---|
| SMILES | C[C@H](CCCC(C(OC)(F)F)C(F)(F)F)C1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)O)C |
Product Overview
26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 (CAS 119839-97-3), with molecular formula C28H41F5O3 and molecular weight 520.30 g/mol. IUPAC: (1R,5Z)-5-[(2E)-2-[(7aR)-1-[(2R)-6-[difluoro(methoxy)methyl]-7,7,7-trifluoroheptan-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 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3
Property Insights of 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3
The XLogP value of 7.3515 indicates that 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 has 2 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 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3?
The CAS number of 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 is 119839-97-3.
What is the molecular formula of 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3?
The molecular formula of 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 is C28H41F5O3.
What is the molecular weight of 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3?
The molecular weight of 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 is 520.30 g/mol.
Where can I buy 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3?
You can request a quote for 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 26,26,26,27,27-pentafluoro-1-hydroxy-27-methoxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.