4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
TL;DR: 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 66491-67-6) 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.
4,5-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,5-dimethyl-, 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione #, (+-)-3c,4-Dimethyl-cyclohex-4-en-1r,2c-dicarbonsaeure-anhydrid, RefChem:285532
| 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 | 303.0 |
Chemical Identifiers
| CAS Number | 66491-67-6 |
|---|---|
| SMILES | CC1C2C(CC=C1C)C(=O)OC2=O |
| InChIKey | JTQIJOSTTCDFGH-UHFFFAOYSA-N |
Product Overview
4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 66491-67-6), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 4,5-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Property Insights of 4,5-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 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 4,5-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, 4,5-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 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The CAS number of 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 66491-67-6.
What is the molecular formula of 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular formula of 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is C10H12O3.
What is the molecular weight of 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular weight of 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 180.08 g/mol.
Where can I buy 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
You can request a quote for 4,5-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 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-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.