BAS 00845033
TL;DR: BAS 00845033 (CAS 332033-98-4) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide
Also Known As: BAS 00845033, BIM-0029876.P001, A2216/0093292, N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide, N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-{3-nitrophenyl}benzenesulfonamide
| Molecular Formula | C23H21N3O5S |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 3.375 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.12018 |
| Heavy Atoms | 32 |
| Complexity | 1261.3882 |
Chemical Identifiers
| CAS Number | 332033-98-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4 |
Product Overview
BAS 00845033 (CAS 332033-98-4), with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol. IUPAC: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide.
Chemical Property Profile of BAS 00845033
Property Insights of BAS 00845033
The XLogP value of 3.375 indicates that BAS 00845033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00845033. Following Lipinski's Rule of Five, BAS 00845033 has 0 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 BAS 00845033?
The CAS number of BAS 00845033 is 332033-98-4.
What is the molecular formula of BAS 00845033?
The molecular formula of BAS 00845033 is C23H21N3O5S.
What is the molecular weight of BAS 00845033?
The molecular weight of BAS 00845033 is 451.12 g/mol.
Where can I buy BAS 00845033?
You can request a quote for BAS 00845033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00845033?
Yes, KEHONG BIO provides custom synthesis services for BAS 00845033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.