3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one
TL;DR: 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one (CAS 4636-40-2) is a chemical compound with molecular formula C7H4Br2O2 and molecular weight 277.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 3,5-Dibromotropolone, 3,5-dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-, J1.399.663F, 3,5-Dibromo-2-hydroxy-2,4,6-cycloheptatrien-1-one
| Molecular Formula | C7H4Br2O2 |
|---|---|
| Molecular Weight | 277.86 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.8578 |
| Heavy Atoms | 11 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 4636-40-2 |
|---|---|
| SMILES | C1=CC(=O)C(=C(C=C1Br)Br)O |
| InChIKey | ZRYCFUMALBOKMC-UHFFFAOYSA-N |
Product Overview
3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one (CAS 4636-40-2), with molecular formula C7H4Br2O2 and molecular weight 277.86 g/mol. IUPAC: 3,5-dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one
Property Insights of 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one has 1 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 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one?
The CAS number of 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one is 4636-40-2.
What is the molecular formula of 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one?
The molecular formula of 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one is C7H4Br2O2.
What is the molecular weight of 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one?
The molecular weight of 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one is 277.86 g/mol.
Where can I buy 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one?
You can request a quote for 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.