![(2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide structure](/static/products/642/642987-91-5.png)
(2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
TL;DR: (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide (CAS 642987-91-5) is a chemical compound with molecular formula C17H14ClN3O4S and molecular weight 391.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
Also Known As: (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide, (E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide, N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-3-(4-methoxyphenyl)prop-2-enamide, N-{[(4-chloro-3-nitrophenyl)amino]carbonothioyl}-3-(4-methoxyphenyl)acrylamide
| Molecular Formula | C17H14ClN3O4S |
|---|---|
| Molecular Weight | 391.04 g/mol |
| LogP | 3.7832 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.03937 |
| Heavy Atoms | 26 |
| Complexity | 868.81177 |
Chemical Identifiers
| CAS Number | 642987-91-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
(2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide (CAS 642987-91-5), with molecular formula C17H14ClN3O4S and molecular weight 391.04 g/mol. IUPAC: (E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
Property Insights of (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
The XLogP value of 3.7832 indicates that (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)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 (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
The CAS number of (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide is 642987-91-5.
What is the molecular formula of (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
The molecular formula of (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide is C17H14ClN3O4S.
What is the molecular weight of (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
The molecular weight of (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide is 391.04 g/mol.
Where can I buy (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
You can request a quote for (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)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-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.