BAS 00794859
TL;DR: BAS 00794859 (CAS 333358-59-1) is a chemical compound with molecular formula C23H21BrN2O3S and molecular weight 484.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
Also Known As: BAS 00794859, BIM-0022362.P001, N-(4-bromophenyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]benzenesulfonamide, N-(4-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide, N-(4-bromophenyl)-N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzenesulfonamide
| Molecular Formula | C23H21BrN2O3S |
|---|---|
| Molecular Weight | 484.05 g/mol |
| LogP | 4.2293 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.04562 |
| Heavy Atoms | 30 |
| Complexity | 1148.5804 |
Chemical Identifiers
| CAS Number | 333358-59-1 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CN(C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
BAS 00794859 (CAS 333358-59-1), with molecular formula C23H21BrN2O3S and molecular weight 484.05 g/mol. IUPAC: N-(4-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide.
Chemical Property Profile of BAS 00794859
Property Insights of BAS 00794859
The XLogP value of 4.2293 indicates that BAS 00794859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 00794859 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00794859 has 0 hydrogen bond donor(s) and 3 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 BAS 00794859?
The CAS number of BAS 00794859 is 333358-59-1.
What is the molecular formula of BAS 00794859?
The molecular formula of BAS 00794859 is C23H21BrN2O3S.
What is the molecular weight of BAS 00794859?
The molecular weight of BAS 00794859 is 484.05 g/mol.
Where can I buy BAS 00794859?
You can request a quote for BAS 00794859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00794859?
Yes, KEHONG BIO provides custom synthesis services for BAS 00794859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.