A1157/0054114
TL;DR: A1157/0054114 (CAS 340691-65-8) is a chemical compound with molecular formula C29H19N5O4S2 and molecular weight 565.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Also Known As: A1157/0054114, N-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
| Molecular Formula | C29H19N5O4S2 |
|---|---|
| Molecular Weight | 565.09 g/mol |
| LogP | 5.9741 |
| Topological Polar Surface Area | 119.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 565.0878 |
| Heavy Atoms | 40 |
| Complexity | 1939.9023 |
Chemical Identifiers
| CAS Number | 340691-65-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)NN=CC4=CC(=C(C=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-] |
Product Overview
A1157/0054114 (CAS 340691-65-8), with molecular formula C29H19N5O4S2 and molecular weight 565.09 g/mol. IUPAC: N-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
Chemical Property Profile of A1157/0054114
Property Insights of A1157/0054114
The XLogP value of 5.9741 indicates that A1157/0054114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.49 Ų falls within the moderate polarity range, balancing permeability and solubility for A1157/0054114. Following Lipinski's Rule of Five, A1157/0054114 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1157/0054114?
The CAS number of A1157/0054114 is 340691-65-8.
What is the molecular formula of A1157/0054114?
The molecular formula of A1157/0054114 is C29H19N5O4S2.
What is the molecular weight of A1157/0054114?
The molecular weight of A1157/0054114 is 565.09 g/mol.
Where can I buy A1157/0054114?
You can request a quote for A1157/0054114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1157/0054114?
Yes, KEHONG BIO provides custom synthesis services for A1157/0054114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.