![Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate structure](/static/products/847/847239-54-7.png)
Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
TL;DR: Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate (CAS 847239-54-7) is a chemical compound with molecular formula C18H20BrN3O4 and molecular weight 421.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
Also Known As: Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate, AP-970/43268313, methyl 3-[(5-bromo-2-furoyl)amino]-4-(4-methyl-1-piperazinyl)benzoate, methyl 3-(5-bromofuran-2-carboxamido)-4-(4-methylpiperazin-1-yl)benzoate, methyl 3-{[(5-bromofuran-2-yl)carbonyl]amino}-4-(4-methylpiperazin-1-yl)benzoate
| Molecular Formula | C18H20BrN3O4 |
|---|---|
| Molecular Weight | 421.06 g/mol |
| LogP | 2.8328 |
| Topological Polar Surface Area | 75.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.06372 |
| Heavy Atoms | 26 |
| Complexity | 812.5176 |
Chemical Identifiers
| CAS Number | 847239-54-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)Br |
Product Overview
Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate (CAS 847239-54-7), with molecular formula C18H20BrN3O4 and molecular weight 421.06 g/mol. IUPAC: methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
Property Insights of Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
The XLogP value of 2.8328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate. The TPSA of 75.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate has 1 hydrogen bond donor(s) and 6 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 Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate?
The CAS number of Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate is 847239-54-7.
What is the molecular formula of Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate?
The molecular formula of Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate is C18H20BrN3O4.
What is the molecular weight of Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate?
The molecular weight of Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate is 421.06 g/mol.
Where can I buy Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate?
You can request a quote for Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.