![2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide structure](/static/products/445/445418-94-0.png)
2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide
TL;DR: 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide (CAS 445418-94-0) is a chemical compound with molecular formula C15H15ClN4OS and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide
Also Known As: AN-465/41166127, 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide, 2-chloro-N-((4,6-dimethylpyrimidin-2-yl)carbamothioyl)-4-methylbenzamide, N-(2-chloro-4-methylbenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)thiourea
| Molecular Formula | C15H15ClN4OS |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 3.18206 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.06552 |
| Heavy Atoms | 22 |
| Complexity | 728.06744 |
Chemical Identifiers
| CAS Number | 445418-94-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC(=CC(=N2)C)C)Cl |
Product Overview
2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide (CAS 445418-94-0), with molecular formula C15H15ClN4OS and molecular weight 334.07 g/mol. IUPAC: 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide
Property Insights of 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide
The XLogP value of 3.18206 indicates that 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide has 2 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 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide?
The CAS number of 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide is 445418-94-0.
What is the molecular formula of 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide?
The molecular formula of 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide is C15H15ClN4OS.
What is the molecular weight of 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide?
The molecular weight of 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide is 334.07 g/mol.
Where can I buy 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide?
You can request a quote for 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.