![3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate structure](/static/products/5206/5206-93-9.webp)
3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate
TL;DR: 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate (CAS 5206-93-9) is a chemical compound with molecular formula C19H26O4 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) heptanoate
Also Known As: 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate, (2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) heptanoate
| Molecular Formula | C19H26O4 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.1831 |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 5206-93-9 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=C(C=C2CCCCC(=O)C2=C1)OC |
| InChIKey | DNPGXKIJZJSQKK-UHFFFAOYSA-N |
Product Overview
3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate (CAS 5206-93-9), with molecular formula C19H26O4 and molecular weight 318.18 g/mol. IUPAC: (2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) heptanoate.
Chemical Property Profile of 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate
Property Insights of 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate
The XLogP value of 4.7 indicates that 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate 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-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate?
The CAS number of 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate is 5206-93-9.
What is the molecular formula of 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate?
The molecular formula of 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate is C19H26O4.
What is the molecular weight of 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate?
The molecular weight of 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate is 318.18 g/mol.
Where can I buy 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate?
You can request a quote for 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.