3-methyl-N-(3-methylsulfanylphenyl)butanamide
TL;DR: 3-methyl-N-(3-methylsulfanylphenyl)butanamide (CAS 791796-39-9) is a chemical compound with molecular formula C12H17NOS and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(3-methylsulfanylphenyl)butanamide
Also Known As: 3-methyl-N-(3-methylsulfanylphenyl)butanamide, 3-methyl-N-[3-(methylsulfanyl)phenyl]butanamide, AN-652/42917760
| Molecular Formula | C12H17NOS |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 3.3931 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.10309 |
| Heavy Atoms | 15 |
| Complexity | 336.14893 |
Chemical Identifiers
| CAS Number | 791796-39-9 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=CC(=CC=C1)SC |
Product Overview
3-methyl-N-(3-methylsulfanylphenyl)butanamide (CAS 791796-39-9), with molecular formula C12H17NOS and molecular weight 223.10 g/mol. IUPAC: 3-methyl-N-(3-methylsulfanylphenyl)butanamide.
Chemical Property Profile of 3-methyl-N-(3-methylsulfanylphenyl)butanamide
Property Insights of 3-methyl-N-(3-methylsulfanylphenyl)butanamide
The XLogP value of 3.3931 indicates that 3-methyl-N-(3-methylsulfanylphenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-methyl-N-(3-methylsulfanylphenyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-(3-methylsulfanylphenyl)butanamide has 1 hydrogen bond donor(s) and 2 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-(3-methylsulfanylphenyl)butanamide?
The CAS number of 3-methyl-N-(3-methylsulfanylphenyl)butanamide is 791796-39-9.
What is the molecular formula of 3-methyl-N-(3-methylsulfanylphenyl)butanamide?
The molecular formula of 3-methyl-N-(3-methylsulfanylphenyl)butanamide is C12H17NOS.
What is the molecular weight of 3-methyl-N-(3-methylsulfanylphenyl)butanamide?
The molecular weight of 3-methyl-N-(3-methylsulfanylphenyl)butanamide is 223.10 g/mol.
Where can I buy 3-methyl-N-(3-methylsulfanylphenyl)butanamide?
You can request a quote for 3-methyl-N-(3-methylsulfanylphenyl)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-(3-methylsulfanylphenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(3-methylsulfanylphenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.