(E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide
TL;DR: (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 1005672-17-2) is a chemical compound with molecular formula C15H12Br2N4O2S and molecular weight 469.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,5-dibromothiophen-2-yl)methylideneamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
Also Known As: (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide, 4-[(4,5-dibromothiophen-2-yl)methylideneamino]-N-(2-furylmethyl)-2-methyl-pyrazole-3-carboxamide, 4-[(4,5-dibromothiophen-2-yl)methylideneamino]-N-(furan-2-ylmethyl)-2-methylpyrazole-3-carboxamide, 4-{[(E)-(4,5-dibromothiophen-2-yl)methylidene]amino}-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide, 4-{[(E)-1-(4,5-DIBROMO-2-THIENYL)METHYLIDENE]AMINO}-N-(2-FURYLMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE
| Molecular Formula | C15H12Br2N4O2S |
|---|---|
| Molecular Weight | 469.90 g/mol |
| LogP | 4.2802 |
| Topological Polar Surface Area | 72.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.9048 |
| Heavy Atoms | 24 |
| Complexity | 864.0677 |
Chemical Identifiers
| CAS Number | 1005672-17-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)N=CC2=CC(=C(S2)Br)Br)C(=O)NCC3=CC=CO3 |
Product Overview
(E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 1005672-17-2), with molecular formula C15H12Br2N4O2S and molecular weight 469.90 g/mol. IUPAC: 4-[(4,5-dibromothiophen-2-yl)methylideneamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide
Property Insights of (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide
The XLogP value of 4.2802 indicates that (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 5 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 (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide?
The CAS number of (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is 1005672-17-2.
What is the molecular formula of (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide?
The molecular formula of (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is C15H12Br2N4O2S.
What is the molecular weight of (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide?
The molecular weight of (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is 469.90 g/mol.
Where can I buy (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide?
You can request a quote for (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(((4,5-dibromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.