8N-801
TL;DR: 8N-801 (CAS 339106-92-2) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]pyrido[1,2-a]indole-10-carboxylate
Also Known As: 8N-801, ethyl 3-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methoxy]pyrido[1,2-a]indole-10-carboxylate, ethyl 3-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]pyrido[1,2-a]indole-10-carboxylate, ethyl3-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methoxy]pyrido[1,2-a]indole-10-carboxylate
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 4.12219 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 1221.3682 |
Chemical Identifiers
| CAS Number | 339106-92-2 |
|---|---|
| SMILES | CCN1C(=NNC1=S)COC2=CC3=C(C=C2)C(=C4N3C=CC=C4)C(=O)OCC |
Product Overview
8N-801 (CAS 339106-92-2), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: ethyl 3-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]pyrido[1,2-a]indole-10-carboxylate.
Chemical Property Profile of 8N-801
Property Insights of 8N-801
The XLogP value of 4.12219 indicates that 8N-801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 8N-801. Following Lipinski's Rule of Five, 8N-801 has 1 hydrogen bond donor(s) and 5 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 8N-801?
The CAS number of 8N-801 is 339106-92-2.
What is the molecular formula of 8N-801?
The molecular formula of 8N-801 is C20H20N4O3S.
What is the molecular weight of 8N-801?
The molecular weight of 8N-801 is 396.13 g/mol.
Where can I buy 8N-801?
You can request a quote for 8N-801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8N-801?
Yes, KEHONG BIO provides custom synthesis services for 8N-801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.