![5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid structure](/static/products/799/799781-33-2.png)
5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid
TL;DR: 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid (CAS 799781-33-2) is a chemical compound with molecular formula C16H11BrN2O4 and molecular weight 373.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Also Known As: 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid, (Z)-5-bromo-2-(5-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid, 5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid, 5-bromo-2-{5-[(1Z)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
| Molecular Formula | C16H11BrN2O4 |
|---|---|
| Molecular Weight | 373.99 g/mol |
| LogP | 3.06028 |
| Topological Polar Surface Area | 103.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.99023 |
| Heavy Atoms | 23 |
| Complexity | 846.0054 |
Chemical Identifiers
| CAS Number | 799781-33-2 |
|---|---|
| SMILES | CNC(=O)/C(=C\C1=CC=C(O1)C2=C(C=C(C=C2)Br)C(=O)O)/C#N |
Product Overview
5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid (CAS 799781-33-2), with molecular formula C16H11BrN2O4 and molecular weight 373.99 g/mol. IUPAC: 5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid
Property Insights of 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid
The XLogP value of 3.06028 indicates that 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid. Following Lipinski's Rule of Five, 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid has 2 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 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid?
The CAS number of 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid is 799781-33-2.
What is the molecular formula of 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid?
The molecular formula of 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid is C16H11BrN2O4.
What is the molecular weight of 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid?
The molecular weight of 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid is 373.99 g/mol.
Where can I buy 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid?
You can request a quote for 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.