N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide (CAS 488794-94-1) is a chemical compound with molecular formula C21H16N4O3S and molecular weight 404.09 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-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyano-2,3'-bipyridin-6-yl)sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((5-cyano-[2,3'-bipyridin]-6-yl)thio)acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-(3-cyano-6-(3-pyridyl)(2-pyridylt hio))acetamide
| Molecular Formula | C21H16N4O3S |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 3.15248 |
| Topological Polar Surface Area | 97.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.0943 |
| Heavy Atoms | 29 |
| Complexity | 1083.0294 |
Chemical Identifiers
| CAS Number | 488794-94-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=CC(=N3)C4=CN=CC=C4)C#N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide (CAS 488794-94-1), with molecular formula C21H16N4O3S and molecular weight 404.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
The XLogP value of 3.15248 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide has 1 hydrogen bond donor(s) and 7 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-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide is 488794-94-1.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide is C21H16N4O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide is 404.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide 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-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.