![N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide structure](/static/products/332/332129-70-1.png)
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide (CAS 332129-70-1) is a chemical compound with molecular formula C22H16N2O3S and molecular weight 388.09 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-(2-cyanophenyl)sulfanylbenzamide
Also Known As: A0898/0042161, N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyanophenyl)sulfanylbenzamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-cyanophenyl)thio)benzamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)[2-(2-cyanophenylthio)phenyl]carboxa mide
| Molecular Formula | C22H16N2O3S |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 4.36818 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.08817 |
| Heavy Atoms | 28 |
| Complexity | 1075.3722 |
Chemical Identifiers
| CAS Number | 332129-70-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide (CAS 332129-70-1), with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyanophenyl)sulfanylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide
The XLogP value of 4.36818 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide 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-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide is 332129-70-1.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide is C22H16N2O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide is 388.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide 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-[(2-cyanophenyl)sulfanyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyanophenyl)sulfanyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.