8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione
TL;DR: 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione (CAS 73728-72-0) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-8-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: A-Phellandren-Maleinsaeureanhydrid-Addukt, 6-Isopropyl-8-methylbicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic anhydride, BICYCLO(2.2.2)OCT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE, 6-ISOPROPYL-8-METHYL-, 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione, 6-Isopropyl-8-methylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 73728-72-0 |
|---|---|
| SMILES | CC1CC2C3C(C1C=C2C(C)C)C(=O)OC3=O |
| InChIKey | OITCDHHARKRUDP-UHFFFAOYSA-N |
Product Overview
8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione (CAS 73728-72-0), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 10-methyl-8-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione
Property Insights of 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-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-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione?
The CAS number of 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione is 73728-72-0.
What is the molecular formula of 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione?
The molecular formula of 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione is C14H18O3.
What is the molecular weight of 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione?
The molecular weight of 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione is 234.13 g/mol.
Where can I buy 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione?
You can request a quote for 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-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-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-5-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.