CHEBI:229878
TL;DR: CHEBI:229878 (CAS 156208-06-9) is a chemical compound with molecular formula C26H32F6O3 and molecular weight 506.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3R)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-yn-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Also Known As: ro-25-6760, Ro 25-6760, (7E)-(1R,3R)-26,26,26,27,27,27-hexafluoro-19-nor-9,10-seco-5,7,16-cholestatrien-23-yne-1,3,25-triol, 1alpha,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norvitamin D3 / 1alpha,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norcholecalciferol, (1R,3R)-5-[(2E)-2-[(3aS,7aS)-3,3a,5,6,7,7a-Hexahydro-7a-methyl-1-[(1R)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)-3-hexyn-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
| Molecular Formula | C26H32F6O3 |
|---|---|
| Molecular Weight | 506.23 g/mol |
| LogP | 5.7667 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 506.22556 |
| Heavy Atoms | 35 |
| Complexity | 922.84973 |
Chemical Identifiers
| CAS Number | 156208-06-9 |
|---|---|
| SMILES | C[C@H](CC#CC(C(F)(F)F)(C(F)(F)F)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C |
Product Overview
CHEBI:229878 (CAS 156208-06-9), with molecular formula C26H32F6O3 and molecular weight 506.23 g/mol. IUPAC: trans-(1R,3R)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-yn-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol.
Chemical Property Profile of CHEBI:229878
Property Insights of CHEBI:229878
The XLogP value of 5.7667 indicates that CHEBI:229878 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 CHEBI:229878. Following Lipinski's Rule of Five, CHEBI:229878 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 CHEBI:229878?
The CAS number of CHEBI:229878 is 156208-06-9.
What is the molecular formula of CHEBI:229878?
The molecular formula of CHEBI:229878 is C26H32F6O3.
What is the molecular weight of CHEBI:229878?
The molecular weight of CHEBI:229878 is 506.23 g/mol.
Where can I buy CHEBI:229878?
You can request a quote for CHEBI:229878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CHEBI:229878?
Yes, KEHONG BIO provides custom synthesis services for CHEBI:229878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.