![3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide structure](/static/products/3028/302821-13-2.webp)
3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
TL;DR: 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide (CAS 302821-13-2) is a chemical compound with molecular formula C16H13Cl3N4O4S and molecular weight 461.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[2,2,2-trichloro-1-[(2-hydroxyphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide, 3-nitro-N-[2,2,2-trichloro-1-[(2-hydroxyphenyl)carbamothioylamino]ethyl]benzamide, 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyanilino)carbothioyl]amino}ethyl)benzamide, 3-nitro-N-[2,2,2-trichloro-1-({[(2-hydroxyphenyl)amino]carbonothioyl}amino)ethyl]benzamide
| Molecular Formula | C16H13Cl3N4O4S |
|---|---|
| Molecular Weight | 461.97 g/mol |
| LogP | 3.7131 |
| Topological Polar Surface Area | 116.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.97232 |
| Heavy Atoms | 28 |
| Complexity | 907.45325 |
Chemical Identifiers
| CAS Number | 302821-13-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O |
Product Overview
3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide (CAS 302821-13-2), with molecular formula C16H13Cl3N4O4S and molecular weight 461.97 g/mol. IUPAC: 3-nitro-N-[2,2,2-trichloro-1-[(2-hydroxyphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
Property Insights of 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
The XLogP value of 3.7131 indicates that 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide. Following Lipinski's Rule of Five, 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide has 4 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 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide?
The CAS number of 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide is 302821-13-2.
What is the molecular formula of 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular formula of 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide is C16H13Cl3N4O4S.
What is the molecular weight of 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular weight of 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide is 461.97 g/mol.
Where can I buy 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide?
You can request a quote for 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.