![3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide structure](/static/products/791/791791-99-6.png)
3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide
TL;DR: 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide (CAS 791791-99-6) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide
Also Known As: 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide, AN-329/42607800, N-(3-methylbutanoyl)-N'-(4-phenoxyphenyl)thiourea, 3-methyl-N-{[(4-phenoxyphenyl)amino]carbonothioyl}butanamide, N-(3-Methylbutanoyl)-N/'-(4-phenoxyphenyl)thiourea
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 4.338 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 654.4816 |
Chemical Identifiers
| CAS Number | 791791-99-6 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 |
Product Overview
3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide (CAS 791791-99-6), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide.
Chemical Property Profile of 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide
Property Insights of 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide
The XLogP value of 4.338 indicates that 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide 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 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide?
The CAS number of 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide is 791791-99-6.
What is the molecular formula of 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide?
The molecular formula of 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide is C18H20N2O2S.
What is the molecular weight of 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide?
The molecular weight of 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide is 328.12 g/mol.
Where can I buy 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide?
You can request a quote for 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[(4-phenoxyphenyl)carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.