ChemDiv1_006710
TL;DR: ChemDiv1_006710 (CAS 311329-77-8) is a chemical compound with molecular formula C19H13N7O3S2 and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: ChemDiv1_006710, 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-({5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, N-{6-nitro-1,3-benzothiazol-2-yl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H13N7O3S2 |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 3.7652 |
| Topological Polar Surface Area | 128.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.05212 |
| Heavy Atoms | 31 |
| Complexity | 1494.5051 |
Chemical Identifiers
| CAS Number | 311329-77-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_006710 (CAS 311329-77-8), with molecular formula C19H13N7O3S2 and molecular weight 451.05 g/mol. IUPAC: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_006710
Property Insights of ChemDiv1_006710
The XLogP value of 3.7652 indicates that ChemDiv1_006710 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 ChemDiv1_006710. Following Lipinski's Rule of Five, ChemDiv1_006710 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 ChemDiv1_006710?
The CAS number of ChemDiv1_006710 is 311329-77-8.
What is the molecular formula of ChemDiv1_006710?
The molecular formula of ChemDiv1_006710 is C19H13N7O3S2.
What is the molecular weight of ChemDiv1_006710?
The molecular weight of ChemDiv1_006710 is 451.05 g/mol.
Where can I buy ChemDiv1_006710?
You can request a quote for ChemDiv1_006710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006710?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.