![N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide structure](/static/products/7082/708239-41-2.webp)
N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide
TL;DR: N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide (CAS 708239-41-2) is a chemical compound with molecular formula C25H27N3OS and molecular weight 417.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide
Also Known As: N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide, N-benzyl-3-({[4-(butan-2-yl)phenyl]carbamothioyl}amino)benzamide, {3-[({[4-(methylpropyl)phenyl]amino}thioxomethyl)amino]phenyl}-N-benzylcarboxa mide
| Molecular Formula | C25H27N3OS |
|---|---|
| Molecular Weight | 417.19 g/mol |
| LogP | 5.939 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.18747 |
| Heavy Atoms | 30 |
| Complexity | 986.7903 |
Chemical Identifiers
| CAS Number | 708239-41-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 |
Product Overview
N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide (CAS 708239-41-2), with molecular formula C25H27N3OS and molecular weight 417.19 g/mol. IUPAC: N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide.
Chemical Property Profile of N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide
Property Insights of N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide
The XLogP value of 5.939 indicates that N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide?
The CAS number of N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide is 708239-41-2.
What is the molecular formula of N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide?
The molecular formula of N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide is C25H27N3OS.
What is the molecular weight of N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide?
The molecular weight of N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide is 417.19 g/mol.
Where can I buy N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide?
You can request a quote for N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.