N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide (CAS 690271-31-9) is a chemical compound with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide
Also Known As: ChemDiv2_001471, VU0618482-1, F3394-1392, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(quinolin-2-ylsulfanyl)propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide
| Molecular Formula | C20H18N2O3S |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 3.7621 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.10382 |
| Heavy Atoms | 26 |
| Complexity | 945.24255 |
Chemical Identifiers
| CAS Number | 690271-31-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSC3=NC4=CC=CC=C4C=C3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide (CAS 690271-31-9), with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide
The XLogP value of 3.7621 indicates that N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide 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)-3-quinolin-2-ylsulfanylpropanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide is 690271-31-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide is C20H18N2O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide is 366.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide 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)-3-quinolin-2-ylsulfanylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.