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N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide
TL;DR: N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide (CAS 701933-27-9) is a chemical compound with molecular formula C16H15FN2OS and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide
Also Known As: N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide, N-(3,5-dimethylbenzoyl)-N'-(2-fluorophenyl)thiourea, AP-970/42249903
| Molecular Formula | C16H15FN2OS |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 3.56934 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.0889 |
| Heavy Atoms | 21 |
| Complexity | 680.1764 |
Chemical Identifiers
| CAS Number | 701933-27-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2F)C |
Product Overview
N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide (CAS 701933-27-9), with molecular formula C16H15FN2OS and molecular weight 302.09 g/mol. IUPAC: N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide.
Chemical Property Profile of N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide
Property Insights of N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide
The XLogP value of 3.56934 indicates that N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide has 2 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-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide?
The CAS number of N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide is 701933-27-9.
What is the molecular formula of N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide?
The molecular formula of N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide is C16H15FN2OS.
What is the molecular weight of N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide?
The molecular weight of N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide is 302.09 g/mol.
Where can I buy N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide?
You can request a quote for N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.