Ro 24-5531
TL;DR: Ro 24-5531 (CAS 137102-93-3) is a chemical compound with molecular formula C27H32F6O3 and molecular weight 518.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5Z)-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]-4-methylidenecyclohexane-1,3-diol
Also Known As: Ro 24-5531, Ro-24-5531, 1alpha,25-(OH)2-D3-16-ene-23-yne-F6, 1alpha,25(OH)2-16-Ene-23-yne-hexafluoro(F6)-D3, 1alpha,25(OH)2-26,27F6-16-ene-23-yne-D3
| Molecular Formula | C27H32F6O3 |
|---|---|
| Molecular Weight | 518.23 g/mol |
| LogP | 5.9328 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.2256 |
| Heavy Atoms | 36 |
| Complexity | 1008.825 |
Chemical Identifiers
| CAS Number | 137102-93-3 |
|---|---|
| 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=C/3\C[C@H](C[C@@H](C3=C)O)O)C |
Product Overview
Ro 24-5531 (CAS 137102-93-3), with molecular formula C27H32F6O3 and molecular weight 518.23 g/mol. IUPAC: trans-(1R,3S,5Z)-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]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of Ro 24-5531
Property Insights of Ro 24-5531
The XLogP value of 5.9328 indicates that Ro 24-5531 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 Ro 24-5531. Following Lipinski's Rule of Five, Ro 24-5531 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 Ro 24-5531?
The CAS number of Ro 24-5531 is 137102-93-3.
What is the molecular formula of Ro 24-5531?
The molecular formula of Ro 24-5531 is C27H32F6O3.
What is the molecular weight of Ro 24-5531?
The molecular weight of Ro 24-5531 is 518.23 g/mol.
Where can I buy Ro 24-5531?
You can request a quote for Ro 24-5531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 24-5531?
Yes, KEHONG BIO provides custom synthesis services for Ro 24-5531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.