4,7-Dimethyl-2,3-benzofurandione
TL;DR: 4,7-Dimethyl-2,3-benzofurandione (CAS 31297-30-0) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-1-benzofuran-2,3-dione
Also Known As: 4,7-Dimethyl-2,3-benzofurandione, 4,7-Dimethylbenzofuran-2,3-dione, 4,7-Dimethyl-1-benzofuran-2,3-dione, 4,7-dimethyl-benzofuran-2,3-dione, 2,3-Benzofurandione, 2,3-dihydro-4,7-dimethyl-
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 31297-30-0 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C)OC(=O)C2=O |
| InChIKey | NFCVZXQKIJAKFD-UHFFFAOYSA-N |
Product Overview
4,7-Dimethyl-2,3-benzofurandione (CAS 31297-30-0), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 4,7-dimethyl-1-benzofuran-2,3-dione.
Chemical Property Profile of 4,7-Dimethyl-2,3-benzofurandione
Property Insights of 4,7-Dimethyl-2,3-benzofurandione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dimethyl-2,3-benzofurandione. With a topological polar surface area (TPSA) of 43.4 Ų, 4,7-Dimethyl-2,3-benzofurandione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Dimethyl-2,3-benzofurandione 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 4,7-Dimethyl-2,3-benzofurandione?
The CAS number of 4,7-Dimethyl-2,3-benzofurandione is 31297-30-0.
What is the molecular formula of 4,7-Dimethyl-2,3-benzofurandione?
The molecular formula of 4,7-Dimethyl-2,3-benzofurandione is C10H8O3.
What is the molecular weight of 4,7-Dimethyl-2,3-benzofurandione?
The molecular weight of 4,7-Dimethyl-2,3-benzofurandione is 176.05 g/mol.
Where can I buy 4,7-Dimethyl-2,3-benzofurandione?
You can request a quote for 4,7-Dimethyl-2,3-benzofurandione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Dimethyl-2,3-benzofurandione?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dimethyl-2,3-benzofurandione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.