(5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid
TL;DR: (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid (CAS 205985-94-0) is a chemical compound with molecular formula C8H7F3O4 and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid
Also Known As: Ho, BpAvwBPRPrPrJPqJKKRUjfjZZQjT@, (2R,3S)-1-CARBOXY-4-TRIFLUOROMETHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, 95, (4S,2RS)-2-ETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID, -1-CARBOXY-4-TRIFLUOROMETHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE,95
| Molecular Formula | C8H7F3O4 |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 0.2215 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02965 |
| Heavy Atoms | 15 |
| Complexity | 342.28616 |
Chemical Identifiers
| CAS Number | 205985-94-0 |
|---|---|
| SMILES | C1=C([C@H]([C@H](C(=C1)C(F)(F)F)O)O)C(=O)O |
Product Overview
(5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid (CAS 205985-94-0), with molecular formula C8H7F3O4 and molecular weight 224.03 g/mol. IUPAC: (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid.
Chemical Property Profile of (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid
Property Insights of (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid
The XLogP value of 0.2215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid. Following Lipinski's Rule of Five, (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid?
The CAS number of (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid is 205985-94-0.
What is the molecular formula of (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid?
The molecular formula of (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid is C8H7F3O4.
What is the molecular weight of (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid?
The molecular weight of (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid is 224.03 g/mol.
Where can I buy (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid?
You can request a quote for (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (5S,6R)-5,6-dihydroxy-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.