N-(3-acetylphenyl)-N'-isobutyrylthiourea
TL;DR: N-(3-acetylphenyl)-N'-isobutyrylthiourea (CAS 791794-20-2) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-acetylphenyl)carbamothioyl]-2-methylpropanamide
Also Known As: N-(3-acetylphenyl)-N'-isobutyrylthiourea, N-(3-Acetylphenyl)-N/'-isobutyrylthiourea, N-[(3-acetylphenyl)carbamothioyl]-2-methylpropanamide, AN-329/42613585, N-{[(3-acetylphenyl)amino]carbonothioyl}-2-methylpropanamide
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.3582 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 483.63452 |
Chemical Identifiers
| CAS Number | 791794-20-2 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)C |
Product Overview
N-(3-acetylphenyl)-N'-isobutyrylthiourea (CAS 791794-20-2), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: N-[(3-acetylphenyl)carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-(3-acetylphenyl)-N'-isobutyrylthiourea
Property Insights of N-(3-acetylphenyl)-N'-isobutyrylthiourea
The XLogP value of 2.3582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-acetylphenyl)-N'-isobutyrylthiourea. With a topological polar surface area (TPSA) of 58.2 Ų, N-(3-acetylphenyl)-N'-isobutyrylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-N'-isobutyrylthiourea 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 N-(3-acetylphenyl)-N'-isobutyrylthiourea?
The CAS number of N-(3-acetylphenyl)-N'-isobutyrylthiourea is 791794-20-2.
What is the molecular formula of N-(3-acetylphenyl)-N'-isobutyrylthiourea?
The molecular formula of N-(3-acetylphenyl)-N'-isobutyrylthiourea is C13H16N2O2S.
What is the molecular weight of N-(3-acetylphenyl)-N'-isobutyrylthiourea?
The molecular weight of N-(3-acetylphenyl)-N'-isobutyrylthiourea is 264.09 g/mol.
Where can I buy N-(3-acetylphenyl)-N'-isobutyrylthiourea?
You can request a quote for N-(3-acetylphenyl)-N'-isobutyrylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-acetylphenyl)-N'-isobutyrylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-N'-isobutyrylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.