DivK1c_005936
TL;DR: DivK1c_005936 (CAS 337489-52-8) is a chemical compound with molecular formula C19H16N6O3S and molecular weight 408.10 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-(4-nitrophenyl)acetamide
Also Known As: DivK1c_005936, CDS1_004896, BAS 01313698, BIM-0036768.P001, 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C19H16N6O3S |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 3.6384 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.10046 |
| Heavy Atoms | 29 |
| Complexity | 1222.0603 |
Chemical Identifiers
| CAS Number | 337489-52-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
DivK1c_005936 (CAS 337489-52-8), with molecular formula C19H16N6O3S and molecular weight 408.10 g/mol. IUPAC: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of DivK1c_005936
Property Insights of DivK1c_005936
The XLogP value of 3.6384 indicates that DivK1c_005936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005936. Following Lipinski's Rule of Five, DivK1c_005936 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 DivK1c_005936?
The CAS number of DivK1c_005936 is 337489-52-8.
What is the molecular formula of DivK1c_005936?
The molecular formula of DivK1c_005936 is C19H16N6O3S.
What is the molecular weight of DivK1c_005936?
The molecular weight of DivK1c_005936 is 408.10 g/mol.
Where can I buy DivK1c_005936?
You can request a quote for DivK1c_005936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005936?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.