![N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide structure](/static/products/4775/477555-65-0.webp)
N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
TL;DR: N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide (CAS 477555-65-0) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: F0882-0481, N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide, N-[2-(2-cyanoethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.71588 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 786.0736 |
Chemical Identifiers
| CAS Number | 477555-65-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC=C3SCCC#N |
Product Overview
N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide (CAS 477555-65-0), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
Property Insights of N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
The XLogP value of 3.71588 indicates that N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide 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-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide. Following Lipinski's Rule of Five, N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-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-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide?
The CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide is 477555-65-0.
What is the molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide?
The molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide is C18H16N2O3S.
What is the molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide?
The molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide is 340.09 g/mol.
Where can I buy N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide?
You can request a quote for N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-cyanoethyl)thio)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.