N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide
TL;DR: N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide (CAS 638153-37-4) is a chemical compound with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
Also Known As: N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide, N-({4-[(acetylcarbamothioyl)amino]phenyl}carbamothioyl)-3-(2-methylpropoxy)benzamide, N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide, N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-(2-methylpropoxy)benzamide
| Molecular Formula | C21H24N4O3S2 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 3.6811 |
| Topological Polar Surface Area | 91.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.129 |
| Heavy Atoms | 30 |
| Complexity | 930.10364 |
Chemical Identifiers
| CAS Number | 638153-37-4 |
|---|---|
| SMILES | CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C |
Product Overview
N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide (CAS 638153-37-4), with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol. IUPAC: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide.
Chemical Property Profile of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide
Property Insights of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide
The XLogP value of 3.6811 indicates that N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide. Following Lipinski's Rule of Five, N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide has 4 hydrogen bond donor(s) and 5 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-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide?
The CAS number of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide is 638153-37-4.
What is the molecular formula of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide?
The molecular formula of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide is C21H24N4O3S2.
What is the molecular weight of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide?
The molecular weight of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide is 444.13 g/mol.
Where can I buy N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide?
You can request a quote for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-isobutoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.