BAS 01057470
TL;DR: BAS 01057470 (CAS 304476-50-4) is a chemical compound with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
Also Known As: BAS 01057470, AB00097829-01, F0305-0030, AF-399/12152033, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
| Molecular Formula | C25H21N3O3S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 4.66668 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.13037 |
| Heavy Atoms | 32 |
| Complexity | 1267.1987 |
Chemical Identifiers
| CAS Number | 304476-50-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C#N |
Product Overview
BAS 01057470 (CAS 304476-50-4), with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide.
Chemical Property Profile of BAS 01057470
Property Insights of BAS 01057470
The XLogP value of 4.66668 indicates that BAS 01057470 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01057470. Following Lipinski's Rule of Five, BAS 01057470 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 01057470?
The CAS number of BAS 01057470 is 304476-50-4.
What is the molecular formula of BAS 01057470?
The molecular formula of BAS 01057470 is C25H21N3O3S.
What is the molecular weight of BAS 01057470?
The molecular weight of BAS 01057470 is 443.13 g/mol.
Where can I buy BAS 01057470?
You can request a quote for BAS 01057470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01057470?
Yes, KEHONG BIO provides custom synthesis services for BAS 01057470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.