![(E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide structure](/static/products/4296/429650-31-7.webp)
(E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide
TL;DR: (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide (CAS 429650-31-7) is a chemical compound with molecular formula C22H16N6O3S and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide
Also Known As: (2E)-3-(3-nitrophenyl)-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]prop-2-enamide, (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide, 3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]prop-2-enamide
| Molecular Formula | C22H16N6O3S |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 3.8551 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.10046 |
| Heavy Atoms | 32 |
| Complexity | 1350.3073 |
Chemical Identifiers
| CAS Number | 429650-31-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide (CAS 429650-31-7), with molecular formula C22H16N6O3S and molecular weight 444.10 g/mol. IUPAC: (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide
Property Insights of (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide
The XLogP value of 3.8551 indicates that (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide has 2 hydrogen bond donor(s) and 6 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-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide?
The CAS number of (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide is 429650-31-7.
What is the molecular formula of (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide?
The molecular formula of (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide is C22H16N6O3S.
What is the molecular weight of (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide?
The molecular weight of (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide is 444.10 g/mol.
Where can I buy (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide?
You can request a quote for (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-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-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.