![(4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate structure](/static/products/5413/54130-98-2.webp)
(4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate
TL;DR: (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate (CAS 54130-98-2) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate
Also Known As: (4-methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate, 1-Methoxy-5-oxo-6,7-dihydro-5H-benzo[7]annulen-2-yl acetate
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 54130-98-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(C=C1)C(=O)CCC=C2)OC |
| InChIKey | JOPAAGLJLYIPNB-UHFFFAOYSA-N |
Product Overview
(4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate (CAS 54130-98-2), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: (4-methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate.
Chemical Property Profile of (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate
Property Insights of (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate. With a topological polar surface area (TPSA) of 52.6 Ų, (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-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 (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate?
The CAS number of (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate is 54130-98-2.
What is the molecular formula of (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate?
The molecular formula of (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate is C14H14O4.
What is the molecular weight of (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate?
The molecular weight of (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate is 246.09 g/mol.
Where can I buy (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate?
You can request a quote for (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.