![1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one structure](/static/products/5413/54130-94-8.webp)
1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
TL;DR: 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one (CAS 54130-94-8) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Also Known As: 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, 1,2-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 1,2-Dimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one, 1,2-DIMETHOXY-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 54130-94-8 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=O)CCCC2)OC |
| InChIKey | IOVMPYNOJGIQRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one (CAS 54130-94-8), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 1,2-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
Chemical Property Profile of 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
Property Insights of 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one 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 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The CAS number of 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is 54130-94-8.
What is the molecular formula of 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The molecular formula of 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is C13H16O3.
What is the molecular weight of 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The molecular weight of 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is 220.11 g/mol.
Where can I buy 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
You can request a quote for 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.