(5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
TL;DR: (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid (CAS 775267-87-3) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
Also Known As: (2-Brom-phenyl)-phosphonsaeure-diaethylester, (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid, (5R,6S)-5,6-dihydroxy-4-tert-butyl-cyclohexa-1,3-diene-1-carboxylic Acid, 1,3-Cyclohexadiene-1-carboxylicacid, 4-(1,1-dimethylethyl)-5,6-dihydroxy-, (5S,6R)-, 1,3-Cyclohexadiene-1-carboxylic acid, 4-(1,1-dimethylethyl)-5,6-dihydroxy-, (5S,6R)- (9CI)
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 0.7053 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 332.9873 |
Chemical Identifiers
| CAS Number | 775267-87-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C([C@H]([C@H]1O)O)C(=O)O |
Product Overview
(5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid (CAS 775267-87-3), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid.
Chemical Property Profile of (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
Property Insights of (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
The XLogP value of 0.7053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-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)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid. Following Lipinski's Rule of Five, (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-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)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The CAS number of (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid is 775267-87-3.
What is the molecular formula of (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The molecular formula of (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid is C11H16O4.
What is the molecular weight of (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The molecular weight of (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid is 212.10 g/mol.
Where can I buy (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
You can request a quote for (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-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)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (5S,6R)-4-tert-butyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.