![4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide structure](/static/products/587/587850-54-2.png)
4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
TL;DR: 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide (CAS 587850-54-2) is a chemical compound with molecular formula C18H18ClN3O3S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
Also Known As: AN-329/42100935, 4-chloro-N-({2-[(2,6-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)benzamide, 4-chloro-N-({2-[(2,6-dimethylphenoxy)acetyl]hydrazino}carbothioyl)benzamide, 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide, acetic acid, (2,6-dimethylphenoxy)-, 2-[[(4-chlorobenzoyl)amino]thioxomethyl]hydrazide
| Molecular Formula | C18H18ClN3O3S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 2.67134 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.07574 |
| Heavy Atoms | 26 |
| Complexity | 804.6811 |
Chemical Identifiers
| CAS Number | 587850-54-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide (CAS 587850-54-2), with molecular formula C18H18ClN3O3S and molecular weight 391.08 g/mol. IUPAC: 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide.
Chemical Property Profile of 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
Property Insights of 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
The XLogP value of 2.67134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide has 3 hydrogen bond donor(s) and 4 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 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
The CAS number of 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide is 587850-54-2.
What is the molecular formula of 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
The molecular formula of 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide is C18H18ClN3O3S.
What is the molecular weight of 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
The molecular weight of 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide is 391.08 g/mol.
Where can I buy 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
You can request a quote for 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.