3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one
TL;DR: 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one (CAS 33695-99-7) is a chemical compound with molecular formula C8H6Br2O2 and molecular weight 291.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dibromo-2-methoxycyclohepta-2,4,6-trien-1-one
Also Known As: 3,7-dibromo-2-methoxy-cycloheptatrienone, J1.399.557E, 3,7-dibromo-2-methoxycyclohepta-2,4,6-trien-1-one, 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one, 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatriene-1-one
| Molecular Formula | C8H6Br2O2 |
|---|---|
| Molecular Weight | 291.87 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.87344 |
| Heavy Atoms | 12 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 33695-99-7 |
|---|---|
| SMILES | COC1=C(C=CC=C(C1=O)Br)Br |
| InChIKey | ATBGKGFNMKCANL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one (CAS 33695-99-7), with molecular formula C8H6Br2O2 and molecular weight 291.87 g/mol. IUPAC: 3,7-dibromo-2-methoxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one
Property Insights of 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one
The XLogP value of 3.1 indicates that 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-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, 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one has 0 hydrogen bond donor(s) and 2 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 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one?
The CAS number of 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one is 33695-99-7.
What is the molecular formula of 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one?
The molecular formula of 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one is C8H6Br2O2.
What is the molecular weight of 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one?
The molecular weight of 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one is 291.87 g/mol.
Where can I buy 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one?
You can request a quote for 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dibromo-2-methoxy-2,4,6-cycloheptatrien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.