![Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate structure](/static/products/5142/514218-44-1.webp)
Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate
TL;DR: Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate (CAS 514218-44-1) is a chemical compound with molecular formula C17H15BrN4O5S and molecular weight 465.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
Also Known As: Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate, methyl 5-[({5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-4-carbamoyl-3-methylthiophene-2-carboxylate, methyl 5-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
| Molecular Formula | C17H15BrN4O5S |
|---|---|
| Molecular Weight | 465.99 g/mol |
| LogP | 2.79462 |
| Topological Polar Surface Area | 129.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.99466 |
| Heavy Atoms | 28 |
| Complexity | 1067.7329 |
Chemical Identifiers
| CAS Number | 514218-44-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C(=O)OC |
Product Overview
Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate (CAS 514218-44-1), with molecular formula C17H15BrN4O5S and molecular weight 465.99 g/mol. IUPAC: methyl 5-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate
Property Insights of Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate
The XLogP value of 2.79462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate. The TPSA of 129.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate 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 Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate?
The CAS number of Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate is 514218-44-1.
What is the molecular formula of Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate?
The molecular formula of Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate is C17H15BrN4O5S.
What is the molecular weight of Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate?
The molecular weight of Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate is 465.99 g/mol.
Where can I buy Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate?
You can request a quote for Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(aminocarbonyl)-5-[[[5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-3-methyl-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.