N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide (CAS 361983-31-5) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide
Also Known As: UPCMLD0ENAT5942593:001, N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide, AO-080/41280630
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.1913 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 836.31274 |
Chemical Identifiers
| CAS Number | 361983-31-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide (CAS 361983-31-5), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide
The XLogP value of 3.1913 indicates that N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide has 1 hydrogen bond donor(s) and 4 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)-4-tert-butylbenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide is 361983-31-5.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide is C18H21NO4S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide is 347.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide 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)-4-tert-butylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.