8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
TL;DR: 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione (CAS 828-66-0) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-4-oxatricyclo[5.2.1.02,6]dec-1(9)-ene-3,5-dione
Also Known As: 8-methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 828-66-0 |
|---|---|
| SMILES | CC1C2CC=C1C3C2C(=O)OC3=O |
| InChIKey | JTUGSQGVLLGWAA-UHFFFAOYSA-N |
Product Overview
8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione (CAS 828-66-0), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 10-methyl-4-oxatricyclo[5.2.1.02,6]dec-1(9)-ene-3,5-dione.
Chemical Property Profile of 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
Property Insights of 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione 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 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione?
The CAS number of 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione is 828-66-0.
What is the molecular formula of 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione?
The molecular formula of 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione is C10H10O3.
What is the molecular weight of 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione?
The molecular weight of 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione is 178.06 g/mol.
Where can I buy 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione?
You can request a quote for 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-3a,4,5,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.