4-Methylphenyl 5-bromo-2-furoate
TL;DR: 4-Methylphenyl 5-bromo-2-furoate (CAS 60698-25-1) is a chemical compound with molecular formula C12H9BrO3 and molecular weight 279.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 5-bromofuran-2-carboxylate
Also Known As: 4-methylphenyl 5-bromo-2-furoate, p-tolyl 5-bromofuran-2-carboxylate, (4-methylphenyl) 5-bromofuran-2-carboxylate, BIM-0042850.P001, AH-262/08501053
| Molecular Formula | C12H9BrO3 |
|---|---|
| Molecular Weight | 279.97 g/mol |
| LogP | 3.56972 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.9735 |
| Heavy Atoms | 16 |
| Complexity | 499.23737 |
Chemical Identifiers
| CAS Number | 60698-25-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=C(O2)Br |
Product Overview
4-Methylphenyl 5-bromo-2-furoate (CAS 60698-25-1), with molecular formula C12H9BrO3 and molecular weight 279.97 g/mol. IUPAC: (4-methylphenyl) 5-bromofuran-2-carboxylate.
Chemical Property Profile of 4-Methylphenyl 5-bromo-2-furoate
Property Insights of 4-Methylphenyl 5-bromo-2-furoate
The XLogP value of 3.56972 indicates that 4-Methylphenyl 5-bromo-2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, 4-Methylphenyl 5-bromo-2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 5-bromo-2-furoate has 0 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 4-Methylphenyl 5-bromo-2-furoate?
The CAS number of 4-Methylphenyl 5-bromo-2-furoate is 60698-25-1.
What is the molecular formula of 4-Methylphenyl 5-bromo-2-furoate?
The molecular formula of 4-Methylphenyl 5-bromo-2-furoate is C12H9BrO3.
What is the molecular weight of 4-Methylphenyl 5-bromo-2-furoate?
The molecular weight of 4-Methylphenyl 5-bromo-2-furoate is 279.97 g/mol.
Where can I buy 4-Methylphenyl 5-bromo-2-furoate?
You can request a quote for 4-Methylphenyl 5-bromo-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 5-bromo-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 5-bromo-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.