![3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate structure](/static/products/1829/18294-85-4.webp)
3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate
TL;DR: 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate (CAS 18294-85-4) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) acetate
Also Known As: 3-methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate, (3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) acetate, (3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) ace, 2-Acetoxy-3-methoxy-6,7,8,9-tetrahydro-5H-benzocycloheptenon-(5)
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 18294-85-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C2C(=C1)CCCCC2=O)OC |
| InChIKey | GFXQFPHYNKBODT-UHFFFAOYSA-N |
Product Overview
3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate (CAS 18294-85-4), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: (3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) acetate.
Chemical Property Profile of 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate
Property Insights of 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate has 0 hydrogen bond donor(s) and 4 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-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate?
The CAS number of 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate is 18294-85-4.
What is the molecular formula of 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate?
The molecular formula of 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate is C14H16O4.
What is the molecular weight of 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate?
The molecular weight of 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate is 248.10 g/mol.
Where can I buy 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate?
You can request a quote for 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.