3-Bromo-7,8-dimethoxy-4-methylchromen-2-one
TL;DR: 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one (CAS 313976-18-0) is a chemical compound with molecular formula C12H11BrO4 and molecular weight 297.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-7,8-dimethoxy-4-methylchromen-2-one
Also Known As: 3-bromo-7,8-dimethoxy-4-methyl-coumarin, 3-bromo-7,8-dimethoxy-4-methylchromen-2-one, J2.389.307J, 3-bromo-7,8-dimethoxy-4-methyl-2H-chromen-2-one, 3-Bromo-4-methyl-7,8-dimethoxy-2H-1-benzopyran-2-one
| Molecular Formula | C12H11BrO4 |
|---|---|
| Molecular Weight | 297.98 g/mol |
| LogP | 2.88112 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.98407 |
| Heavy Atoms | 17 |
| Complexity | 630.4187 |
Chemical Identifiers
| CAS Number | 313976-18-0 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)Br |
Product Overview
3-Bromo-7,8-dimethoxy-4-methylchromen-2-one (CAS 313976-18-0), with molecular formula C12H11BrO4 and molecular weight 297.98 g/mol. IUPAC: 3-bromo-7,8-dimethoxy-4-methylchromen-2-one.
Chemical Property Profile of 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one
Property Insights of 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one
The XLogP value of 2.88112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one. With a topological polar surface area (TPSA) of 48.67 Ų, 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one 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-Bromo-7,8-dimethoxy-4-methylchromen-2-one?
The CAS number of 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one is 313976-18-0.
What is the molecular formula of 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one?
The molecular formula of 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one is C12H11BrO4.
What is the molecular weight of 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one?
The molecular weight of 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one is 297.98 g/mol.
Where can I buy 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one?
You can request a quote for 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-7,8-dimethoxy-4-methylchromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.