A1122/0052578
TL;DR: A1122/0052578 (CAS 296770-92-8) is a chemical compound with molecular formula C20H15N7O3S2 and molecular weight 465.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: A1122/0052578, 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-({5-ETHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C20H15N7O3S2 |
|---|---|
| Molecular Weight | 465.07 g/mol |
| LogP | 4.2481 |
| Topological Polar Surface Area | 128.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.06778 |
| Heavy Atoms | 32 |
| Complexity | 1511.7324 |
Chemical Identifiers
| CAS Number | 296770-92-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-] |
Product Overview
A1122/0052578 (CAS 296770-92-8), with molecular formula C20H15N7O3S2 and molecular weight 465.07 g/mol. IUPAC: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of A1122/0052578
Property Insights of A1122/0052578
The XLogP value of 4.2481 indicates that A1122/0052578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.73 Ų falls within the moderate polarity range, balancing permeability and solubility for A1122/0052578. Following Lipinski's Rule of Five, A1122/0052578 has 1 hydrogen bond donor(s) and 9 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 A1122/0052578?
The CAS number of A1122/0052578 is 296770-92-8.
What is the molecular formula of A1122/0052578?
The molecular formula of A1122/0052578 is C20H15N7O3S2.
What is the molecular weight of A1122/0052578?
The molecular weight of A1122/0052578 is 465.07 g/mol.
Where can I buy A1122/0052578?
You can request a quote for A1122/0052578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1122/0052578?
Yes, KEHONG BIO provides custom synthesis services for A1122/0052578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.