![(2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide structure](/static/products/4296/429642-93-3.webp)
(2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
TL;DR: (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide (CAS 429642-93-3) is a chemical compound with molecular formula C24H18N4O4S and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide, (E)-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide, N-[[3-(5-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C24H18N4O4S |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 5.23782 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.1049 |
| Heavy Atoms | 33 |
| Complexity | 1410.6238 |
Chemical Identifiers
| CAS Number | 429642-93-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide (CAS 429642-93-3), with molecular formula C24H18N4O4S and molecular weight 458.10 g/mol. IUPAC: (E)-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Property Insights of (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
The XLogP value of 5.23782 indicates that (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]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 (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
The CAS number of (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide is 429642-93-3.
What is the molecular formula of (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
The molecular formula of (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide is C24H18N4O4S.
What is the molecular weight of (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
The molecular weight of (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide is 458.10 g/mol.
Where can I buy (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
You can request a quote for (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]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 (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.