3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine
TL;DR: 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine (CAS 189869-50-9) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine
Also Known As: 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine, 3,5,6,7-tetrahydro-2H-benzo[b][1,4,7]trioxecine, 2,6,9-trioxabicyclo[8.4.0]tetradeca-10,12,14-triene
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.8645 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 256.61606 |
Chemical Identifiers
| CAS Number | 189869-50-9 |
|---|---|
| SMILES | C1COCCOC2=CC=CC=C2OC1 |
Product Overview
3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine (CAS 189869-50-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine.
Chemical Property Profile of 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine
Property Insights of 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine
The XLogP value of 1.8645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine. With a topological polar surface area (TPSA) of 27.69 Ų, 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine has 0 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 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine?
The CAS number of 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine is 189869-50-9.
What is the molecular formula of 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine?
The molecular formula of 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine is C11H14O3.
What is the molecular weight of 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine?
The molecular weight of 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine is 194.09 g/mol.
Where can I buy 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine?
You can request a quote for 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6,7-tetrahydro-2H-1,4,8-benzotrioxecine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.