cis-1,2-Dihydro-3-ethylcatechol
TL;DR: cis-1,2-Dihydro-3-ethylcatechol (CAS 66008-19-3) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R)-3-ethylcyclohexa-3,5-diene-1,2-diol
Also Known As: cis-1,2-Dihydro-3-ethylcatechol, (1S,2R)-3-ethylcyclohexa-3,5-diene-1,2-diol, cis-2,3-Dihydroxy-2,3-dihydroethylbenzene, c0273, cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 66008-19-3 |
|---|---|
| SMILES | CCC1=CC=C[C@@H]([C@@H]1O)O |
| InChIKey | BACDCBUEYBFLFV-JGVFFNPUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-1,2-Dihydro-3-ethylcatechol (CAS 66008-19-3), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: (1S,2R)-3-ethylcyclohexa-3,5-diene-1,2-diol.
Chemical Property Profile of cis-1,2-Dihydro-3-ethylcatechol
Property Insights of cis-1,2-Dihydro-3-ethylcatechol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-1,2-Dihydro-3-ethylcatechol. With a topological polar surface area (TPSA) of 40.5 Ų, cis-1,2-Dihydro-3-ethylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-1,2-Dihydro-3-ethylcatechol has 2 hydrogen bond donor(s) and 2 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 cis-1,2-Dihydro-3-ethylcatechol?
The CAS number of cis-1,2-Dihydro-3-ethylcatechol is 66008-19-3.
What is the molecular formula of cis-1,2-Dihydro-3-ethylcatechol?
The molecular formula of cis-1,2-Dihydro-3-ethylcatechol is C8H12O2.
What is the molecular weight of cis-1,2-Dihydro-3-ethylcatechol?
The molecular weight of cis-1,2-Dihydro-3-ethylcatechol is 140.08 g/mol.
Where can I buy cis-1,2-Dihydro-3-ethylcatechol?
You can request a quote for cis-1,2-Dihydro-3-ethylcatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-1,2-Dihydro-3-ethylcatechol?
Yes, KEHONG BIO provides custom synthesis services for cis-1,2-Dihydro-3-ethylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.