![3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one structure](/static/products/7247/72472-42-5.webp)
3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
TL;DR: 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one (CAS 72472-42-5) is a chemical compound with molecular formula C12H10Br4O2 and molecular weight 501.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,6,9-tetrabromo-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-one
Also Known As: 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, 3,6,6,9-tetrabromo-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-, 3,6,6,9-tetrabromo-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-one
| Molecular Formula | C12H10Br4O2 |
|---|---|
| Molecular Weight | 501.74 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 501.74142 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 72472-42-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(CCC(C2=O)(Br)Br)Br)Br |
| InChIKey | GZRBFYVBIHGNSE-UHFFFAOYSA-N |
Product Overview
3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one (CAS 72472-42-5), with molecular formula C12H10Br4O2 and molecular weight 501.74 g/mol. IUPAC: 3,6,6,9-tetrabromo-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-one.
Chemical Property Profile of 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
Property Insights of 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
The XLogP value of 4.9 indicates that 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,6,6,9-Tetrabromo-2-methoxy-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, 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The CAS number of 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is 72472-42-5.
What is the molecular formula of 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The molecular formula of 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is C12H10Br4O2.
What is the molecular weight of 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
The molecular weight of 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is 501.74 g/mol.
Where can I buy 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
You can request a quote for 3,6,6,9-Tetrabromo-2-methoxy-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 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6,6,9-Tetrabromo-2-methoxy-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.