![4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate structure](/static/products/373/373369-46-1.png)
4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate
TL;DR: 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate (CAS 373369-46-1) is a chemical compound with molecular formula C22H17BrN4O5 and molecular weight 496.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Also Known As: 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate, (E)-4-bromo-2-((E)-(2-(2-(isonicotinamido)acetyl)hydrazono)methyl)phenyl 3-(furan-2-yl)acrylate, [4-bromo-2-[(E)-[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate, 4-bromo-2-[(E)-(2-{[(pyridin-4-ylcarbonyl)amino]acetyl}hydrazinylidene)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate (non-preferred name)
| Molecular Formula | C22H17BrN4O5 |
|---|---|
| Molecular Weight | 496.04 g/mol |
| LogP | 2.936 |
| Topological Polar Surface Area | 122.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.03824 |
| Heavy Atoms | 32 |
| Complexity | 1144.3926 |
Chemical Identifiers
| CAS Number | 373369-46-1 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNC(=O)C3=CC=NC=C3 |
Product Overview
4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate (CAS 373369-46-1), with molecular formula C22H17BrN4O5 and molecular weight 496.04 g/mol. IUPAC: [4-bromo-2-[(E)-[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate.
Chemical Property Profile of 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate
Property Insights of 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate
The XLogP value of 2.936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate. The TPSA of 122.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate. Following Lipinski's Rule of Five, 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate has 2 hydrogen bond donor(s) and 7 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-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate?
The CAS number of 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate is 373369-46-1.
What is the molecular formula of 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate?
The molecular formula of 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate is C22H17BrN4O5.
What is the molecular weight of 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate?
The molecular weight of 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate is 496.04 g/mol.
Where can I buy 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate?
You can request a quote for 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-{2-[(isonicotinoylamino)acetyl]carbohydrazonoyl}phenyl 3-(2-furyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.