![N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide structure](/static/products/791/791794-52-0.png)
N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide
TL;DR: N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide (CAS 791794-52-0) is a chemical compound with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-acetamidophenyl)carbamothioyl]-2-methylpropanamide
Also Known As: AN-329/42613618, N-[(4-acetamidophenyl)carbamothioyl]-2-methylpropanamide, N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide, N-({[4-(acetylamino)phenyl]amino}carbonothioyl)-2-methylpropanamide, N-{[4-(acetylamino)phenyl]carbamothioyl}-2-methylpropanamide
| Molecular Formula | C13H17N3O2S |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.114 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.10416 |
| Heavy Atoms | 19 |
| Complexity | 483.16663 |
Chemical Identifiers
| CAS Number | 791794-52-0 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C |
Product Overview
N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide (CAS 791794-52-0), with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol. IUPAC: N-[(4-acetamidophenyl)carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide
Property Insights of N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide
The XLogP value of 2.114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide. Following Lipinski's Rule of Five, N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide has 3 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-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide?
The CAS number of N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide is 791794-52-0.
What is the molecular formula of N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide?
The molecular formula of N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide is C13H17N3O2S.
What is the molecular weight of N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide?
The molecular weight of N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide is 279.10 g/mol.
Where can I buy N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide?
You can request a quote for N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{[(isobutyrylamino)carbothioyl]amino}phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.