![N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide structure](/static/products/7012/701258-64-2.webp)
N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
TL;DR: N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide (CAS 701258-64-2) is a chemical compound with molecular formula C22H15N7O4S2 and molecular weight 505.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
Also Known As: N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide, N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}-5-(2-nitrophenyl)furan-2-carboxamide
| Molecular Formula | C22H15N7O4S2 |
|---|---|
| Molecular Weight | 505.06 g/mol |
| LogP | 4.45622 |
| Topological Polar Surface Area | 140.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.06268 |
| Heavy Atoms | 35 |
| Complexity | 1586.9025 |
Chemical Identifiers
| CAS Number | 701258-64-2 |
|---|---|
| SMILES | CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-] |
Product Overview
N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide (CAS 701258-64-2), with molecular formula C22H15N7O4S2 and molecular weight 505.06 g/mol. IUPAC: N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide.
Chemical Property Profile of N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
Property Insights of N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
The XLogP value of 4.45622 indicates that N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.49 Ų indicates high polarity, suggesting N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The CAS number of N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide is 701258-64-2.
What is the molecular formula of N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The molecular formula of N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide is C22H15N7O4S2.
What is the molecular weight of N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The molecular weight of N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide is 505.06 g/mol.
Where can I buy N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide?
You can request a quote for N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.