N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide
TL;DR: N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide (CAS 540516-04-9) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylbenzamide
Also Known As: N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide, AO-080/42479857, N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylbenzamide, N-(2-ETHYL-2-METHYL-2H-13-BENZODIOXOL-5-YL)-2-(METHYLSULFANYL)BENZAMIDE
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 4.5582 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 746.7966 |
Chemical Identifiers
| CAS Number | 540516-04-9 |
|---|---|
| SMILES | CCC1(OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3SC)C |
Product Overview
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide (CAS 540516-04-9), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylbenzamide.
Chemical Property Profile of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide
Property Insights of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide
The XLogP value of 4.5582 indicates that N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide has 1 hydrogen bond donor(s) and 4 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-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide?
The CAS number of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide is 540516-04-9.
What is the molecular formula of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide?
The molecular formula of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide is C18H19NO3S.
What is the molecular weight of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide?
The molecular weight of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide is 329.11 g/mol.
Where can I buy N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide?
You can request a quote for N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(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-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.