3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
TL;DR: 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 8076-09-3) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7a-dimethyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
Also Known As: 3a,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 5,7a-dimethyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione, 3a,4,7,7a-Tetrahydro-3a,5(or 3a,6)-dimethylisobenzofuran-1,3-dione, EINECS 232-517-4
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 8076-09-3 |
|---|---|
| SMILES | CC1=CCC2(C(C1)C(=O)OC2=O)C |
| InChIKey | KZOXZUAKJBQECI-UHFFFAOYSA-N |
Product Overview
3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 8076-09-3), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 5,7a-dimethyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione.
Chemical Property Profile of 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Property Insights of 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-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 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The CAS number of 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 8076-09-3.
What is the molecular formula of 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular formula of 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is C10H12O3.
What is the molecular weight of 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular weight of 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 180.08 g/mol.
Where can I buy 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
You can request a quote for 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-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 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.