N-(benzylcarbamothioyl)-4-tert-butylbenzamide
TL;DR: N-(benzylcarbamothioyl)-4-tert-butylbenzamide (CAS 642981-73-5) is a chemical compound with molecular formula C19H22N2OS and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylcarbamothioyl)-4-tert-butylbenzamide
Also Known As: N-(benzylcarbamothioyl)-4-tert-butylbenzamide, N-benzyl-N'-(4-tert-butylbenzoyl)thiourea, AN-329/41561776, N-[(benzylamino)carbonothioyl]-4-tert-butylbenzamide
| Molecular Formula | C19H22N2OS |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 3.7886 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1453 |
| Heavy Atoms | 23 |
| Complexity | 672.76587 |
Chemical Identifiers
| CAS Number | 642981-73-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2 |
Product Overview
N-(benzylcarbamothioyl)-4-tert-butylbenzamide (CAS 642981-73-5), with molecular formula C19H22N2OS and molecular weight 326.15 g/mol. IUPAC: N-(benzylcarbamothioyl)-4-tert-butylbenzamide.
Chemical Property Profile of N-(benzylcarbamothioyl)-4-tert-butylbenzamide
Property Insights of N-(benzylcarbamothioyl)-4-tert-butylbenzamide
The XLogP value of 3.7886 indicates that N-(benzylcarbamothioyl)-4-tert-butylbenzamide 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-(benzylcarbamothioyl)-4-tert-butylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzylcarbamothioyl)-4-tert-butylbenzamide 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-(benzylcarbamothioyl)-4-tert-butylbenzamide?
The CAS number of N-(benzylcarbamothioyl)-4-tert-butylbenzamide is 642981-73-5.
What is the molecular formula of N-(benzylcarbamothioyl)-4-tert-butylbenzamide?
The molecular formula of N-(benzylcarbamothioyl)-4-tert-butylbenzamide is C19H22N2OS.
What is the molecular weight of N-(benzylcarbamothioyl)-4-tert-butylbenzamide?
The molecular weight of N-(benzylcarbamothioyl)-4-tert-butylbenzamide is 326.15 g/mol.
Where can I buy N-(benzylcarbamothioyl)-4-tert-butylbenzamide?
You can request a quote for N-(benzylcarbamothioyl)-4-tert-butylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzylcarbamothioyl)-4-tert-butylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylcarbamothioyl)-4-tert-butylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.