N-butyl-2-methoxy-4-(methylsulfanyl)benzamide
TL;DR: N-butyl-2-methoxy-4-(methylsulfanyl)benzamide (CAS 335203-86-6) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-methoxy-4-methylsulfanylbenzamide
Also Known As: N-butyl-2-methoxy-4-(methylsulfanyl)benzamide, N-butyl-2-methoxy-4-(methylthio)benzamide, BAS 02255985, N-butyl-2-methoxy-4-methylsulfanylbenzamide, N-Butyl-2-methoxy-4-methylsulfanyl-benzamide
| Molecular Formula | C13H19NO2S |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.947 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.11365 |
| Heavy Atoms | 17 |
| Complexity | 379.68225 |
Chemical Identifiers
| CAS Number | 335203-86-6 |
|---|---|
| SMILES | CCCCNC(=O)C1=C(C=C(C=C1)SC)OC |
Product Overview
N-butyl-2-methoxy-4-(methylsulfanyl)benzamide (CAS 335203-86-6), with molecular formula C13H19NO2S and molecular weight 253.11 g/mol. IUPAC: N-butyl-2-methoxy-4-methylsulfanylbenzamide.
Chemical Property Profile of N-butyl-2-methoxy-4-(methylsulfanyl)benzamide
Property Insights of N-butyl-2-methoxy-4-(methylsulfanyl)benzamide
The XLogP value of 2.947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-methoxy-4-(methylsulfanyl)benzamide. With a topological polar surface area (TPSA) of 38.33 Ų, N-butyl-2-methoxy-4-(methylsulfanyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-2-methoxy-4-(methylsulfanyl)benzamide has 1 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-butyl-2-methoxy-4-(methylsulfanyl)benzamide?
The CAS number of N-butyl-2-methoxy-4-(methylsulfanyl)benzamide is 335203-86-6.
What is the molecular formula of N-butyl-2-methoxy-4-(methylsulfanyl)benzamide?
The molecular formula of N-butyl-2-methoxy-4-(methylsulfanyl)benzamide is C13H19NO2S.
What is the molecular weight of N-butyl-2-methoxy-4-(methylsulfanyl)benzamide?
The molecular weight of N-butyl-2-methoxy-4-(methylsulfanyl)benzamide is 253.11 g/mol.
Where can I buy N-butyl-2-methoxy-4-(methylsulfanyl)benzamide?
You can request a quote for N-butyl-2-methoxy-4-(methylsulfanyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-methoxy-4-(methylsulfanyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-methoxy-4-(methylsulfanyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.