N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (CAS 796109-89-2) is a chemical compound with molecular formula C18H15NO4S and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
Also Known As: N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide, N-(2H-1,3-benzodioxol-5-yl)-3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxamide
| Molecular Formula | C18H15NO4S |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 4.2768 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.07217 |
| Heavy Atoms | 24 |
| Complexity | 918.5228 |
Chemical Identifiers
| CAS Number | 796109-89-2 |
|---|---|
| SMILES | CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (CAS 796109-89-2), with molecular formula C18H15NO4S and molecular weight 341.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
The XLogP value of 4.2768 indicates that N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide has 1 hydrogen bond donor(s) and 5 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-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is 796109-89-2.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is C18H15NO4S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is 341.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide 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-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.