8N-803
TL;DR: 8N-803 (CAS 339106-96-6) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-oxo-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]ethoxy]pyrido[1,2-a]indole-10-carboxylate
Also Known As: 8N-803, ethyl 3-(2-{2-[(allylamino)carbothioyl]hydrazino}-2-oxoethoxy)pyrido[1,2-a]indole-10-carboxylate, ethyl 3-[({[(prop-2-en-1-yl)carbamothioyl]amino}carbamoyl)methoxy]pyrido[1,2-a]indole-10-carboxylate, ethyl 3-[2-oxo-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]ethoxy]pyrido[1,2-a]indole-10-carboxylate, ethyl3-[({[(prop-2-en-1-yl)carbamothioyl]amino}carbamoyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.3293 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1109.0236 |
Chemical Identifiers
| CAS Number | 339106-96-6 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)OCC(=O)NNC(=S)NCC=C |
Product Overview
8N-803 (CAS 339106-96-6), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: ethyl 3-[2-oxo-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]ethoxy]pyrido[1,2-a]indole-10-carboxylate.
Chemical Property Profile of 8N-803
Property Insights of 8N-803
The XLogP value of 2.3293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8N-803. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8N-803. Following Lipinski's Rule of Five, 8N-803 has 3 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-803?
The CAS number of 8N-803 is 339106-96-6.
What is the molecular formula of 8N-803?
The molecular formula of 8N-803 is C21H22N4O4S.
What is the molecular weight of 8N-803?
The molecular weight of 8N-803 is 426.14 g/mol.
Where can I buy 8N-803?
You can request a quote for 8N-803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8N-803?
Yes, KEHONG BIO provides custom synthesis services for 8N-803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.