BAS 00791874
TL;DR: BAS 00791874 (CAS 324044-94-2) is a chemical compound with molecular formula C25H18ClN3O3S and molecular weight 475.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
Also Known As: BAS 00791874, J3.511.295B, F0238-0052, N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide, N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
| Molecular Formula | C25H18ClN3O3S |
|---|---|
| Molecular Weight | 475.08 g/mol |
| LogP | 5.6316 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.07574 |
| Heavy Atoms | 33 |
| Complexity | 1347.0568 |
Chemical Identifiers
| CAS Number | 324044-94-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl |
Product Overview
BAS 00791874 (CAS 324044-94-2), with molecular formula C25H18ClN3O3S and molecular weight 475.08 g/mol. IUPAC: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide.
Chemical Property Profile of BAS 00791874
Property Insights of BAS 00791874
The XLogP value of 5.6316 indicates that BAS 00791874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00791874. Following Lipinski's Rule of Five, BAS 00791874 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00791874?
The CAS number of BAS 00791874 is 324044-94-2.
What is the molecular formula of BAS 00791874?
The molecular formula of BAS 00791874 is C25H18ClN3O3S.
What is the molecular weight of BAS 00791874?
The molecular weight of BAS 00791874 is 475.08 g/mol.
Where can I buy BAS 00791874?
You can request a quote for BAS 00791874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00791874?
Yes, KEHONG BIO provides custom synthesis services for BAS 00791874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.