![3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide structure](/static/products/4304/430447-05-5.webp)
3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide
TL;DR: 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide (CAS 430447-05-5) is a chemical compound with molecular formula C23H17ClN4O4S and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
Also Known As: 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide, 3-chloro-N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide, 3-chloro-N-[3-[3-(3-nitrophenyl)prop-2-enoylthiocarbamoylamino]phenyl]benzamide
| Molecular Formula | C23H17ClN4O4S |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 5.0269 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.06592 |
| Heavy Atoms | 33 |
| Complexity | 1262.4686 |
Chemical Identifiers
| CAS Number | 430447-05-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide (CAS 430447-05-5), with molecular formula C23H17ClN4O4S and molecular weight 480.07 g/mol. IUPAC: 3-chloro-N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide.
Chemical Property Profile of 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide
Property Insights of 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide
The XLogP value of 5.0269 indicates that 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide?
The CAS number of 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide is 430447-05-5.
What is the molecular formula of 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide?
The molecular formula of 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide is C23H17ClN4O4S.
What is the molecular weight of 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide?
The molecular weight of 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide is 480.07 g/mol.
Where can I buy 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide?
You can request a quote for 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.