BAS 01057496
TL;DR: BAS 01057496 (CAS 324774-58-5) is a chemical compound with molecular formula C21H16N2O4S and molecular weight 392.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]pyridine-3-carboxylic acid
Also Known As: BAS 01057496, AB00097738-01, BRD-K83285049-001-01-3, 2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}pyridine-3-carboxylic acid, 2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-nicotinic acid
| Molecular Formula | C21H16N2O4S |
|---|---|
| Molecular Weight | 392.08 g/mol |
| LogP | 3.7114 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.08307 |
| Heavy Atoms | 28 |
| Complexity | 1061.7609 |
Chemical Identifiers
| CAS Number | 324774-58-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=C(C=CC=N4)C(=O)O |
Product Overview
BAS 01057496 (CAS 324774-58-5), with molecular formula C21H16N2O4S and molecular weight 392.08 g/mol. IUPAC: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]pyridine-3-carboxylic acid.
Chemical Property Profile of BAS 01057496
Property Insights of BAS 01057496
The XLogP value of 3.7114 indicates that BAS 01057496 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01057496. Following Lipinski's Rule of Five, BAS 01057496 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 BAS 01057496?
The CAS number of BAS 01057496 is 324774-58-5.
What is the molecular formula of BAS 01057496?
The molecular formula of BAS 01057496 is C21H16N2O4S.
What is the molecular weight of BAS 01057496?
The molecular weight of BAS 01057496 is 392.08 g/mol.
Where can I buy BAS 01057496?
You can request a quote for BAS 01057496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01057496?
Yes, KEHONG BIO provides custom synthesis services for BAS 01057496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.