(2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate
TL;DR: (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate (CAS 797022-95-8) is a chemical compound with molecular formula C13H8BrNO3 and molecular weight 304.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyanophenyl)methyl 5-bromofuran-2-carboxylate
Also Known As: (2-cyanophenyl)methyl 5-bromofuran-2-carboxylate
| Molecular Formula | C13H8BrNO3 |
|---|---|
| Molecular Weight | 304.97 g/mol |
| LogP | 3.27078 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.96875 |
| Heavy Atoms | 18 |
| Complexity | 612.6941 |
Chemical Identifiers
| CAS Number | 797022-95-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC(=O)C2=CC=C(O2)Br)C#N |
Product Overview
(2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate (CAS 797022-95-8), with molecular formula C13H8BrNO3 and molecular weight 304.97 g/mol. IUPAC: (2-cyanophenyl)methyl 5-bromofuran-2-carboxylate.
Chemical Property Profile of (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate
Property Insights of (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate
The XLogP value of 3.27078 indicates that (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate. Following Lipinski's Rule of Five, (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate 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 (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate?
The CAS number of (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate is 797022-95-8.
What is the molecular formula of (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate?
The molecular formula of (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate is C13H8BrNO3.
What is the molecular weight of (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate?
The molecular weight of (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate is 304.97 g/mol.
Where can I buy (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate?
You can request a quote for (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Cyanophenyl)methyl 5-bromofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.