Ro 46-5471
TL;DR: Ro 46-5471 (CAS 153049-51-5) is a chemical compound with molecular formula C27H38O5S and molecular weight 474.244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E,4E,6E)-7-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)-3-methylocta-2,4,6-trienoic acid
Also Known As: Ro 46-5471, Ro-46-5471, (2E,4E,6E)-7-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)-3-methylocta-2,4,6-trienoic acid, (2E,4E,6E)-7-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydroth, 7-(7-(Heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl)-3-methyl-2,4,6-octatrienoic acid (all-E)-
Technical Specifications
| Molecular Formula | C27H38O5S |
| Molecular Weight | 474.244 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 474.244 Da |
| Heavy Atoms | 33 |
| Complexity | 844.0 |
| SMILES | CCCCCCCOC1=CC2=C(C=C1/C(=C/C=C/C(=C/C(=O)O)/C)/C)C(CCS2(=O)=O)(C)C |
| InChIKey | DAQXGPCMSTXZBM-BAKLMJQHSA-N |
Chemical Property Profile of Ro 46-5471
Property Insights of Ro 46-5471
The XLogP value of 7.8 indicates that Ro 46-5471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 46-5471. Following Lipinski's Rule of Five, Ro 46-5471 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ro 46-5471?
The CAS number of Ro 46-5471 is 153049-51-5.
What is the molecular formula of Ro 46-5471?
The molecular formula of Ro 46-5471 is C27H38O5S.
What is the molecular weight of Ro 46-5471?
The molecular weight of Ro 46-5471 is 474.244 g/mol.
Where can I buy Ro 46-5471?
You can request a quote for Ro 46-5471 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 46-5471?
Yes, CoreyChem provides custom synthesis services for Ro 46-5471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.