![(2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide structure](/static/products/4288/428857-23-2.webp)
(2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
TL;DR: (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide (CAS 428857-23-2) is a chemical compound with molecular formula C23H15ClN4O4S and molecular weight 478.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide, (E)-N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide, N-[(3-benzooxazol-2-yl-4-chloro-phenyl)thiocarbamoyl]-3-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C23H15ClN4O4S |
|---|---|
| Molecular Weight | 478.05 g/mol |
| LogP | 5.5828 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.05026 |
| Heavy Atoms | 33 |
| Complexity | 1383.621 |
Chemical Identifiers
| CAS Number | 428857-23-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-])Cl |
Product Overview
(2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide (CAS 428857-23-2), with molecular formula C23H15ClN4O4S and molecular weight 478.05 g/mol. IUPAC: (E)-N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Property Insights of (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
The XLogP value of 5.5828 indicates that (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]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-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]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-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
The CAS number of (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide is 428857-23-2.
What is the molecular formula of (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
The molecular formula of (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide is C23H15ClN4O4S.
What is the molecular weight of (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
The molecular weight of (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide is 478.05 g/mol.
Where can I buy (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
You can request a quote for (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]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-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.