![N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide structure](/static/products/4454/445419-16-9.webp)
N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide
TL;DR: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide (CAS 445419-16-9) is a chemical compound with molecular formula C14H13FN4OS and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide
Also Known As: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide, AN-465/41166417, N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-fluorobenzoyl)thiourea, N-((4,6-dimethylpyrimidin-2-yl)carbamothioyl)-2-fluorobenzamide
| Molecular Formula | C14H13FN4OS |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 2.35934 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0794 |
| Heavy Atoms | 21 |
| Complexity | 684.8734 |
Chemical Identifiers
| CAS Number | 445419-16-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=CC=C2F)C |
Product Overview
N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide (CAS 445419-16-9), with molecular formula C14H13FN4OS and molecular weight 304.08 g/mol. IUPAC: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide.
Chemical Property Profile of N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide
Property Insights of N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide
The XLogP value of 2.35934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide 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 N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide?
The CAS number of N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide is 445419-16-9.
What is the molecular formula of N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide?
The molecular formula of N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide is C14H13FN4OS.
What is the molecular weight of N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide?
The molecular weight of N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide is 304.08 g/mol.
Where can I buy N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide?
You can request a quote for N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.