(4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
TL;DR: (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate (CAS 5646-49-1) is a chemical compound with molecular formula C18H12BrNO3 and molecular weight 369.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
Also Known As: (4-cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate, (4-cyanophenyl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate
| Molecular Formula | C18H12BrNO3 |
|---|---|
| Molecular Weight | 369.00 g/mol |
| LogP | 4.7324 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.00006 |
| Heavy Atoms | 23 |
| Complexity | 919.82996 |
Chemical Identifiers
| CAS Number | 5646-49-1 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC=C(C=C3)C#N |
Product Overview
(4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate (CAS 5646-49-1), with molecular formula C18H12BrNO3 and molecular weight 369.00 g/mol. IUPAC: (4-cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
Property Insights of (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
The XLogP value of 4.7324 indicates that (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-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 (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-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 (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate?
The CAS number of (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate is 5646-49-1.
What is the molecular formula of (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate?
The molecular formula of (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate is C18H12BrNO3.
What is the molecular weight of (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate?
The molecular weight of (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate is 369.00 g/mol.
Where can I buy (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate?
You can request a quote for (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.