BAS 01259401
TL;DR: BAS 01259401 (CAS 304645-31-6) is a chemical compound with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-phenylpiperazine-1-carbothioamide
Also Known As: BAS 01259401, 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-phenylpiperazine-1-carbothioamide, F0294-0002, 4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)-N-phenylpiperazine-1-carbothioamide, 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-phenylpiperazine-1-carbothioamide
| Molecular Formula | C25H24N4O2S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 3.4504 |
| Topological Polar Surface Area | 55.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.162 |
| Heavy Atoms | 32 |
| Complexity | 1138.276 |
Chemical Identifiers
| CAS Number | 304645-31-6 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=CC=C5 |
Product Overview
BAS 01259401 (CAS 304645-31-6), with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol. IUPAC: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-phenylpiperazine-1-carbothioamide.
Chemical Property Profile of BAS 01259401
Property Insights of BAS 01259401
The XLogP value of 3.4504 indicates that BAS 01259401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.89 Ų, BAS 01259401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01259401 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 BAS 01259401?
The CAS number of BAS 01259401 is 304645-31-6.
What is the molecular formula of BAS 01259401?
The molecular formula of BAS 01259401 is C25H24N4O2S.
What is the molecular weight of BAS 01259401?
The molecular weight of BAS 01259401 is 444.16 g/mol.
Where can I buy BAS 01259401?
You can request a quote for BAS 01259401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01259401?
Yes, KEHONG BIO provides custom synthesis services for BAS 01259401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.