4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide
TL;DR: 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide (CAS 278609-60-2) is a chemical compound with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide
Also Known As: N-(4-tert-butylbenzoyl)-N'-(2-furylmethyl)thiourea, 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide, AN-329/42685548, 4-tert-butyl-N-{[(2-furylmethyl)amino]carbonothioyl}benzamide, N-(4-Tert-butylbenzoyl)-N/'-(2-furylmethyl)thiourea
| Molecular Formula | C17H20N2O2S |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.12454 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 278609-60-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2 |
| InChIKey | PIQPPZIADQBYNC-UHFFFAOYSA-N |
Product Overview
4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide (CAS 278609-60-2), with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol. IUPAC: 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide.
Chemical Property Profile of 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide
Property Insights of 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide
The XLogP value of 4.2 indicates that 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide has 2 hydrogen bond donor(s) and 3 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-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide?
The CAS number of 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide is 278609-60-2.
What is the molecular formula of 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide?
The molecular formula of 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide is C17H20N2O2S.
What is the molecular weight of 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide?
The molecular weight of 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide is 316.12 g/mol.
Where can I buy 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide?
You can request a quote for 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(furan-2-ylmethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.