N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide (CAS 831192-89-3) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 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-benzylsulfonylpropanamide
Also Known As: BAS 10212429, N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(benzylsulfonyl)propanamide, N-Benzo[1,3]dioxol-5-ylmethyl-3-phenylmethanesulfonyl-propionamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-3-[benzylsulfonyl]propanamide
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 2.0366 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 849.0251 |
Chemical Identifiers
| CAS Number | 831192-89-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCS(=O)(=O)CC3=CC=CC=C3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide (CAS 831192-89-3), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide
The XLogP value of 2.0366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide 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-benzylsulfonylpropanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide is 831192-89-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide is C18H19NO5S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide is 361.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide 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-benzylsulfonylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfonylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.