![3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one structure](/static/products/2775/27752-28-9.webp)
3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one
TL;DR: 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one (CAS 27752-28-9) is a chemical compound with molecular formula C15H16O2 and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3a-methyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one
Also Known As: 3,3A,4,5-TETRAHYDRO-7-METHOXY-3A-METHYL-2H-BENZ[E]INDEN-2-ONE, 7-methoxy-3a-methyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2, 7-methoxy-3a-methyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one, 3,4,5-TETRAHYDRO-7-METHOXY-3A-METHYL-2H-BENZ[E]INDEN-2-ONE, 7-Methoxy-3a-methyl-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-2-one
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 27752-28-9 |
|---|---|
| SMILES | CC12CCC3=C(C1=CC(=O)C2)C=CC(=C3)OC |
| InChIKey | HGVYAVOYJCIYMV-UHFFFAOYSA-N |
Product Overview
3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one (CAS 27752-28-9), with molecular formula C15H16O2 and molecular weight 228.12 g/mol. IUPAC: 7-methoxy-3a-methyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one.
Chemical Property Profile of 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one
Property Insights of 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one has 0 hydrogen bond donor(s) and 2 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 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one?
The CAS number of 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one is 27752-28-9.
What is the molecular formula of 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one?
The molecular formula of 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one is C15H16O2.
What is the molecular weight of 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one?
The molecular weight of 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one is 228.12 g/mol.
Where can I buy 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one?
You can request a quote for 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3A,4,5-Tetrahydro-7-methoxy-3A-methyl-2H-benz[E]inden-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.