3,5-Dimethylphenyl 5-bromo-2-furoate
TL;DR: 3,5-Dimethylphenyl 5-bromo-2-furoate (CAS 352672-31-2) is a chemical compound with molecular formula C13H11BrO3 and molecular weight 293.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 5-bromofuran-2-carboxylate
Also Known As: 3,5-dimethylphenyl 5-bromo-2-furoate, 3,5-dimethylphenyl 5-bromofuran-2-carboxylate, (3,5-dimethylphenyl) 5-bromofuran-2-carboxylate
| Molecular Formula | C13H11BrO3 |
|---|---|
| Molecular Weight | 293.99 g/mol |
| LogP | 3.87814 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.98917 |
| Heavy Atoms | 17 |
| Complexity | 537.29224 |
Chemical Identifiers
| CAS Number | 352672-31-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)C2=CC=C(O2)Br)C |
Product Overview
3,5-Dimethylphenyl 5-bromo-2-furoate (CAS 352672-31-2), with molecular formula C13H11BrO3 and molecular weight 293.99 g/mol. IUPAC: (3,5-dimethylphenyl) 5-bromofuran-2-carboxylate.
Chemical Property Profile of 3,5-Dimethylphenyl 5-bromo-2-furoate
Property Insights of 3,5-Dimethylphenyl 5-bromo-2-furoate
The XLogP value of 3.87814 indicates that 3,5-Dimethylphenyl 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, 3,5-Dimethylphenyl 5-bromo-2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl 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 3,5-Dimethylphenyl 5-bromo-2-furoate?
The CAS number of 3,5-Dimethylphenyl 5-bromo-2-furoate is 352672-31-2.
What is the molecular formula of 3,5-Dimethylphenyl 5-bromo-2-furoate?
The molecular formula of 3,5-Dimethylphenyl 5-bromo-2-furoate is C13H11BrO3.
What is the molecular weight of 3,5-Dimethylphenyl 5-bromo-2-furoate?
The molecular weight of 3,5-Dimethylphenyl 5-bromo-2-furoate is 293.99 g/mol.
Where can I buy 3,5-Dimethylphenyl 5-bromo-2-furoate?
You can request a quote for 3,5-Dimethylphenyl 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 3,5-Dimethylphenyl 5-bromo-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl 5-bromo-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.