2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine
TL;DR: 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine (CAS 4595-84-0) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine
Also Known As: 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine, 3-methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine, 2-methyl-4a,5,6,7,8,8a-hexahydro-[1,4]benzodioxine, 3-(4-nitrophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 4595-84-0 |
|---|---|
| SMILES | CC1=COC2CCCCC2O1 |
| InChIKey | FLUQAMSLXUXVFX-UHFFFAOYSA-N |
Product Overview
2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine (CAS 4595-84-0), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 3-methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine.
Chemical Property Profile of 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine
Property Insights of 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine has 0 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 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine?
The CAS number of 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine is 4595-84-0.
What is the molecular formula of 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine?
The molecular formula of 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine is C9H14O2.
What is the molecular weight of 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine?
The molecular weight of 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine is 154.10 g/mol.
Where can I buy 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine?
You can request a quote for 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4a,5,6,7,8,8a-hexahydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.