![(9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate structure](/static/products/7100/71007-45-9.webp)
(9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate
TL;DR: (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate (CAS 71007-45-9) is a chemical compound with molecular formula C14H15BrO4 and molecular weight 326.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate
Also Known As: (9-bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate, (9-bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3, 5-Bromo-3-methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl acetate
| Molecular Formula | C14H15BrO4 |
|---|---|
| Molecular Weight | 326.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.01538 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 71007-45-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C2C(CCCC(=O)C2=C1)Br)OC |
| InChIKey | BGLJKRQMRSUOCW-UHFFFAOYSA-N |
Product Overview
(9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate (CAS 71007-45-9), with molecular formula C14H15BrO4 and molecular weight 326.02 g/mol. IUPAC: (9-bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate.
Chemical Property Profile of (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate
Property Insights of (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate. With a topological polar surface area (TPSA) of 52.6 Ų, (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[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 (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate?
The CAS number of (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate is 71007-45-9.
What is the molecular formula of (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate?
The molecular formula of (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate is C14H15BrO4.
What is the molecular weight of (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate?
The molecular weight of (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate is 326.02 g/mol.
Where can I buy (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate?
You can request a quote for (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[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 (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.