N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide
TL;DR: N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide (CAS 477555-67-2) is a chemical compound with molecular formula C21H24N2O2S and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pentoxybenzamide
Also Known As: N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide, F0882-0483, N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pentoxybenzamide, N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(pentyloxy)benzamide, N-[o-(2-cyanoethylthio)phenyl]p-(pentyloxy)benzamide
| Molecular Formula | C21H24N2O2S |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 5.51368 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.15585 |
| Heavy Atoms | 26 |
| Complexity | 738.42145 |
Chemical Identifiers
| CAS Number | 477555-67-2 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCCC#N |
Product Overview
N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide (CAS 477555-67-2), with molecular formula C21H24N2O2S and molecular weight 368.16 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pentoxybenzamide.
Chemical Property Profile of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide
Property Insights of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide
The XLogP value of 5.51368 indicates that N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide. Following Lipinski's Rule of Five, N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide?
The CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide is 477555-67-2.
What is the molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide?
The molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide is C21H24N2O2S.
What is the molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide?
The molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide is 368.16 g/mol.
Where can I buy N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide?
You can request a quote for N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide 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)-4-(pentyloxy)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-cyanoethyl)thio)phenyl)-4-(pentyloxy)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.