![(E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide structure](/static/products/4288/428859-62-5.webp)
(E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
TL;DR: (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide (CAS 428859-62-5) is a chemical compound with molecular formula C24H18N4O3S2 and molecular weight 474.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide, (2E)-N-({[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-3-(3-nitrophenyl)acrylamide, (2E)-N-{[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C24H18N4O3S2 |
|---|---|
| Molecular Weight | 474.08 g/mol |
| LogP | 5.70632 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.08203 |
| Heavy Atoms | 33 |
| Complexity | 1378.8689 |
Chemical Identifiers
| CAS Number | 428859-62-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide (CAS 428859-62-5), with molecular formula C24H18N4O3S2 and molecular weight 474.08 g/mol. IUPAC: (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Property Insights of (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
The XLogP value of 5.70632 indicates that (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
The CAS number of (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide is 428859-62-5.
What is the molecular formula of (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
The molecular formula of (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide is C24H18N4O3S2.
What is the molecular weight of (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
The molecular weight of (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide is 474.08 g/mol.
Where can I buy (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
You can request a quote for (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)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)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.