AI-020/34791002
TL;DR: AI-020/34791002 (CAS 170700-24-0) is a chemical compound with molecular formula C17H14N4O3S2 and molecular weight 386.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]acetamide
Also Known As: AI-020/34791002, 4 -Nitroacetophenone [(benzothiazol-2-ylthio)acetyl]hydrazone, (E)-2-(benzo[d]thiazol-2-ylthio)-N'-(1-(4-nitrophenyl)ethylidene)acetohydrazide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(1-{4-nitrophenyl}ethylidene)acetohydrazide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-(4-nitrophenyl)ethylidene]acetohydrazide
| Molecular Formula | C17H14N4O3S2 |
|---|---|
| Molecular Weight | 386.05 g/mol |
| LogP | 3.837 |
| Topological Polar Surface Area | 97.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.05072 |
| Heavy Atoms | 26 |
| Complexity | 950.0965 |
Chemical Identifiers
| CAS Number | 170700-24-0 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AI-020/34791002 (CAS 170700-24-0), with molecular formula C17H14N4O3S2 and molecular weight 386.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]acetamide.
Chemical Property Profile of AI-020/34791002
Property Insights of AI-020/34791002
The XLogP value of 3.837 indicates that AI-020/34791002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-020/34791002. Following Lipinski's Rule of Five, AI-020/34791002 has 1 hydrogen bond donor(s) and 7 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 AI-020/34791002?
The CAS number of AI-020/34791002 is 170700-24-0.
What is the molecular formula of AI-020/34791002?
The molecular formula of AI-020/34791002 is C17H14N4O3S2.
What is the molecular weight of AI-020/34791002?
The molecular weight of AI-020/34791002 is 386.05 g/mol.
Where can I buy AI-020/34791002?
You can request a quote for AI-020/34791002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-020/34791002?
Yes, KEHONG BIO provides custom synthesis services for AI-020/34791002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.