![methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate structure](/static/products/7750/77500-05-1.webp)
methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate
TL;DR: methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate (CAS 77500-05-1) is a chemical compound with molecular formula C17H24O5 and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate
Also Known As: methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate, Methyl 3a-methoxy-6,9a-dimethyl-2-oxo-2,3a,4,5,5a,6,7,8,9,9a-decahydronaphtho[2,1-b]furan-6-carboxylate
| Molecular Formula | C17H24O5 |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.16238 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 77500-05-1 |
|---|---|
| SMILES | CC12CCCC(C1CCC3(C2=CC(=O)O3)OC)(C)C(=O)OC |
| InChIKey | GQLLNBCAQFIVNP-UHFFFAOYSA-N |
Product Overview
methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate (CAS 77500-05-1), with molecular formula C17H24O5 and molecular weight 308.16 g/mol. IUPAC: methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate.
Chemical Property Profile of methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate
Property Insights of methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate. Following Lipinski's Rule of Five, methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate has 0 hydrogen bond donor(s) and 5 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 methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate?
The CAS number of methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate is 77500-05-1.
What is the molecular formula of methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate?
The molecular formula of methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate is C17H24O5.
What is the molecular weight of methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate?
The molecular weight of methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate is 308.16 g/mol.
Where can I buy methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate?
You can request a quote for methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.