A1318/0059781
TL;DR: A1318/0059781 (CAS 311329-79-0) is a chemical compound with molecular formula C18H11N7O3S2 and molecular weight 437.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Also Known As: A1318/0059781, N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide, N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)-2-{5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YLSULFANYL}ACETAMIDE, N-{6-nitro-1,3-benzothiazol-2-yl}-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
| Molecular Formula | C18H11N7O3S2 |
|---|---|
| Molecular Weight | 437.04 g/mol |
| LogP | 3.7548 |
| Topological Polar Surface Area | 139.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.03647 |
| Heavy Atoms | 30 |
| Complexity | 1446.087 |
Chemical Identifiers
| CAS Number | 311329-79-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-] |
Product Overview
A1318/0059781 (CAS 311329-79-0), with molecular formula C18H11N7O3S2 and molecular weight 437.04 g/mol. IUPAC: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide.
Chemical Property Profile of A1318/0059781
Property Insights of A1318/0059781
The XLogP value of 3.7548 indicates that A1318/0059781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A1318/0059781. Following Lipinski's Rule of Five, A1318/0059781 has 2 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 A1318/0059781?
The CAS number of A1318/0059781 is 311329-79-0.
What is the molecular formula of A1318/0059781?
The molecular formula of A1318/0059781 is C18H11N7O3S2.
What is the molecular weight of A1318/0059781?
The molecular weight of A1318/0059781 is 437.04 g/mol.
Where can I buy A1318/0059781?
You can request a quote for A1318/0059781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1318/0059781?
Yes, KEHONG BIO provides custom synthesis services for A1318/0059781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.