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N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide
TL;DR: N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide (CAS 446825-89-4) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide
Also Known As: N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide, N-isobutyryl-N'-(4-methoxyphenyl)thiourea, N-Isobutyryl-N/'-(4-methoxyphenyl)thiourea, AF-399/41049616, N-{[(4-methoxyphenyl)amino]carbonothioyl}-2-methylpropanamide
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.1642 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 401.4716 |
Chemical Identifiers
| CAS Number | 446825-89-4 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)OC |
Product Overview
N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide (CAS 446825-89-4), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide
Property Insights of N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide
The XLogP value of 2.1642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide. With a topological polar surface area (TPSA) of 50.36 Ų, N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide 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-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide?
The CAS number of N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide is 446825-89-4.
What is the molecular formula of N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide?
The molecular formula of N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide is C12H16N2O2S.
What is the molecular weight of N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide?
The molecular weight of N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide is 252.09 g/mol.
Where can I buy N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide?
You can request a quote for N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-methoxyphenyl)carbamothioyl]-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.