N-(diethylcarbamothioyl)-4-fluorobenzamide
TL;DR: N-(diethylcarbamothioyl)-4-fluorobenzamide (CAS 203193-66-2) is a chemical compound with molecular formula C12H15FN2OS and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diethylcarbamothioyl)-4-fluorobenzamide
Also Known As: N-(diethylcarbamothioyl)-4-fluorobenzamide, N-[(diethylamino)carbonothioyl]-4-fluorobenzamide, N,N-diethyl-N'-(4-fluorobenzoyl)thiourea, AN-329/41572214, N-[(diethylamino)thioxomethyl](4-fluorophenyl)carboxamide
| Molecular Formula | C12H15FN2OS |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.1822 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.08891 |
| Heavy Atoms | 17 |
| Complexity | 401.4716 |
Chemical Identifiers
| CAS Number | 203193-66-2 |
|---|---|
| SMILES | CCN(CC)C(=S)NC(=O)C1=CC=C(C=C1)F |
Product Overview
N-(diethylcarbamothioyl)-4-fluorobenzamide (CAS 203193-66-2), with molecular formula C12H15FN2OS and molecular weight 254.09 g/mol. IUPAC: N-(diethylcarbamothioyl)-4-fluorobenzamide.
Chemical Property Profile of N-(diethylcarbamothioyl)-4-fluorobenzamide
Property Insights of N-(diethylcarbamothioyl)-4-fluorobenzamide
The XLogP value of 2.1822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(diethylcarbamothioyl)-4-fluorobenzamide. With a topological polar surface area (TPSA) of 32.34 Ų, N-(diethylcarbamothioyl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(diethylcarbamothioyl)-4-fluorobenzamide has 1 hydrogen bond donor(s) and 2 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-(diethylcarbamothioyl)-4-fluorobenzamide?
The CAS number of N-(diethylcarbamothioyl)-4-fluorobenzamide is 203193-66-2.
What is the molecular formula of N-(diethylcarbamothioyl)-4-fluorobenzamide?
The molecular formula of N-(diethylcarbamothioyl)-4-fluorobenzamide is C12H15FN2OS.
What is the molecular weight of N-(diethylcarbamothioyl)-4-fluorobenzamide?
The molecular weight of N-(diethylcarbamothioyl)-4-fluorobenzamide is 254.09 g/mol.
Where can I buy N-(diethylcarbamothioyl)-4-fluorobenzamide?
You can request a quote for N-(diethylcarbamothioyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(diethylcarbamothioyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(diethylcarbamothioyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.