![3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide structure](/static/products/6909/690978-85-9.webp)
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide
TL;DR: 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide (CAS 690978-85-9) is a chemical compound with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide
Also Known As: 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide, 3-methyl-N-({4-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)butanamide
| Molecular Formula | C16H23N3O2S |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 3.1402 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1511 |
| Heavy Atoms | 22 |
| Complexity | 538.82684 |
Chemical Identifiers
| CAS Number | 690978-85-9 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)C |
Product Overview
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide (CAS 690978-85-9), with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol. IUPAC: 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide.
Chemical Property Profile of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide
Property Insights of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide
The XLogP value of 3.1402 indicates that 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide. Following Lipinski's Rule of Five, 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide 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 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide?
The CAS number of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide is 690978-85-9.
What is the molecular formula of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide?
The molecular formula of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide is C16H23N3O2S.
What is the molecular weight of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide?
The molecular weight of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide is 321.15 g/mol.
Where can I buy 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide?
You can request a quote for 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]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-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.