N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide (CAS 663187-97-1) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylsulfanyl)benzamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylthio)benzamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)(2-ethylthiophenyl)carboxamide, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(ETHYLSULFANYL)BENZAMIDE
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 3.4573 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 687.3543 |
Chemical Identifiers
| CAS Number | 663187-97-1 |
|---|---|
| SMILES | CCSC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide (CAS 663187-97-1), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide
The XLogP value of 3.4573 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide 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-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide 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-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide is 663187-97-1.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide is C17H17NO3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide is 315.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfanylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.