Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-
TL;DR: Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- (CAS 84945-07-3) is a chemical compound with molecular formula C13H15BrO3 and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-6-hydroxy-4,4,5,8-tetramethyl-3H-chromen-2-one
Also Known As: 7-bromo-6-hydroxy-4,4,5,8-tetramethylhydrocoumarin, 7-Bromo-6-hydroxy-4,4,5,8-tetramethyl-2-chromanone, 7-Bromo-6-hydroxy-4,4,5,8-tetramethyl-2-chromanone #, 7-bromo-6-hydroxy-4,4,5,8-tetramethyl-3H-chromen-2-one, Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-
| Molecular Formula | C13H15BrO3 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.02045 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 84945-07-3 |
|---|---|
| SMILES | CC1=C2C(=C(C(=C1O)Br)C)OC(=O)CC2(C)C |
| InChIKey | IZBKWSGQZSQVFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- (CAS 84945-07-3), with molecular formula C13H15BrO3 and molecular weight 298.02 g/mol. IUPAC: 7-bromo-6-hydroxy-4,4,5,8-tetramethyl-3H-chromen-2-one.
Chemical Property Profile of Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-
Property Insights of Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-
The XLogP value of 3.6 indicates that Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- has 1 hydrogen bond donor(s) and 3 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 Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-?
The CAS number of Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- is 84945-07-3.
What is the molecular formula of Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-?
The molecular formula of Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- is C13H15BrO3.
What is the molecular weight of Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-?
The molecular weight of Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- is 298.02 g/mol.
Where can I buy Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-?
You can request a quote for Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4,5,8-tetramethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.