![3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide structure](/static/products/5863/586392-26-9.webp)
3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide
TL;DR: 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide (CAS 586392-26-9) is a chemical compound with molecular formula C16H23N3OS and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide
Also Known As: 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide, 3-methyl-N-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}butanamide, 3-methyl-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)butanamide, 1-(3-Methyl-butyryl)-3-(2-pyrrolidin-1-yl-phenyl)-thiourea
| Molecular Formula | C16H23N3OS |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 3.1459 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1562 |
| Heavy Atoms | 21 |
| Complexity | 509.99847 |
Chemical Identifiers
| CAS Number | 586392-26-9 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=CC=C1N2CCCC2 |
Product Overview
3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide (CAS 586392-26-9), with molecular formula C16H23N3OS and molecular weight 305.16 g/mol. IUPAC: 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide.
Chemical Property Profile of 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide
Property Insights of 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide
The XLogP value of 3.1459 indicates that 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)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-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide?
The CAS number of 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide is 586392-26-9.
What is the molecular formula of 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide?
The molecular formula of 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide is C16H23N3OS.
What is the molecular weight of 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide?
The molecular weight of 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide is 305.16 g/mol.
Where can I buy 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide?
You can request a quote for 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)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-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.