4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
TL;DR: 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 3910-04-1) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 4-methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 3910-04-1 |
|---|---|
| SMILES | CC1C=CC(C2C1C(=O)OC2=O)C3=CC=CC=C3 |
| InChIKey | DRAQQDZPAHZFFN-UHFFFAOYSA-N |
Product Overview
4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 3910-04-1), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 4-methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Property Insights of 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Methyl-7-phenyl-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-Methyl-7-phenyl-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-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The CAS number of 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 3910-04-1.
What is the molecular formula of 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular formula of 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is C15H14O3.
What is the molecular weight of 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular weight of 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 242.09 g/mol.
Where can I buy 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
You can request a quote for 4-Methyl-7-phenyl-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-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.