![3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid structure](/static/products/7778/777857-54-2.webp)
3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid
TL;DR: 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid (CAS 777857-54-2) is a chemical compound with molecular formula C21H15BrO5 and molecular weight 426.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-bromophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]propanoic acid
Also Known As: US20230364057, Compound 46, 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid, 3-(3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoic acid, 7H-Furo[3,2-g][1]benzopyran-6-propanoic acid, 3-(4-bromophenyl)-5-methyl-7-oxo-, 3-(4-Bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-propanoic acid
| Molecular Formula | C21H15BrO5 |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 5.29432 |
| Topological Polar Surface Area | 80.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.01028 |
| Heavy Atoms | 27 |
| Complexity | 1231.6305 |
Chemical Identifiers
| CAS Number | 777857-54-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Br)CCC(=O)O |
Product Overview
3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid (CAS 777857-54-2), with molecular formula C21H15BrO5 and molecular weight 426.01 g/mol. IUPAC: 3-[3-(4-bromophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]propanoic acid.
Chemical Property Profile of 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid
Property Insights of 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid
The XLogP value of 5.29432 indicates that 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid?
The CAS number of 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid is 777857-54-2.
What is the molecular formula of 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid?
The molecular formula of 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid is C21H15BrO5.
What is the molecular weight of 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid?
The molecular weight of 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid is 426.01 g/mol.
Where can I buy 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid?
You can request a quote for 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.