![(2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide structure](/static/products/1164/1164554-02-2.webp)
(2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide
TL;DR: (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide (CAS 1164554-02-2) is a chemical compound with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(furan-2-yl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide
Also Known As: (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide, (E)-3-(furan-2-yl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide, 3-(2-furyl)-N-({[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]amino}carbonothioyl)acrylamide
| Molecular Formula | C22H19N5O2S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 4.15674 |
| Topological Polar Surface Area | 84.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.12595 |
| Heavy Atoms | 30 |
| Complexity | 1240.7726 |
Chemical Identifiers
| CAS Number | 1164554-02-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=CO4)C |
Product Overview
(2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide (CAS 1164554-02-2), with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol. IUPAC: (E)-3-(furan-2-yl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide
Property Insights of (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide
The XLogP value of 4.15674 indicates that (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide has 2 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 (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide?
The CAS number of (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide is 1164554-02-2.
What is the molecular formula of (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide?
The molecular formula of (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide is C22H19N5O2S.
What is the molecular weight of (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide?
The molecular weight of (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide is 417.13 g/mol.
Where can I buy (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide?
You can request a quote for (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.