![(E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide structure](/static/products/1164/1164475-28-8.webp)
(E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide
TL;DR: (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide (CAS 1164475-28-8) is a chemical compound with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide
Also Known As: (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide, (2E)-3-(furan-2-yl)-N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide, 3-(2-furyl)-N-({[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]amino}carbonothioyl)acrylamide, (E)-3-(2-furyl)-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]acrylamide, (E)-3-(2-furanyl)-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-propenamide
| Molecular Formula | C21H17N5O2S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.84832 |
| Topological Polar Surface Area | 84.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.1103 |
| Heavy Atoms | 29 |
| Complexity | 1193.7823 |
Chemical Identifiers
| CAS Number | 1164475-28-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=CO4 |
Product Overview
(E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide (CAS 1164475-28-8), with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol. IUPAC: (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide
Property Insights of (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide
The XLogP value of 3.84832 indicates that (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)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 (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)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 (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide?
The CAS number of (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide is 1164475-28-8.
What is the molecular formula of (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide?
The molecular formula of (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide is C21H17N5O2S.
What is the molecular weight of (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide?
The molecular weight of (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide is 403.11 g/mol.
Where can I buy (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide?
You can request a quote for (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)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 (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.