4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate
TL;DR: 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate (CAS 313554-50-6) is a chemical compound with molecular formula C13H9BrO5 and molecular weight 323.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycarbonylphenyl) 5-bromofuran-2-carboxylate
Also Known As: 4-(methoxycarbonyl)phenyl 5-bromo-2-furoate, (4-methoxycarbonylphenyl) 5-bromofuran-2-carboxylate, 4-(methoxycarbonyl)phenyl 5-bromofuran-2-carboxylate, AH-357/05675054
| Molecular Formula | C13H9BrO5 |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.96335 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 313554-50-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(O2)Br |
| InChIKey | SGLKGJCMIKIBTQ-UHFFFAOYSA-N |
Product Overview
4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate (CAS 313554-50-6), with molecular formula C13H9BrO5 and molecular weight 323.96 g/mol. IUPAC: (4-methoxycarbonylphenyl) 5-bromofuran-2-carboxylate.
Chemical Property Profile of 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate
Property Insights of 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate
The XLogP value of 3.3 indicates that 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate has 0 hydrogen bond donor(s) and 5 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-(Methoxycarbonyl)phenyl 5-bromo-2-furoate?
The CAS number of 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate is 313554-50-6.
What is the molecular formula of 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate?
The molecular formula of 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate is C13H9BrO5.
What is the molecular weight of 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate?
The molecular weight of 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate is 323.96 g/mol.
Where can I buy 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate?
You can request a quote for 4-(Methoxycarbonyl)phenyl 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-(Methoxycarbonyl)phenyl 5-bromo-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxycarbonyl)phenyl 5-bromo-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.