7N-834
TL;DR: 7N-834 (CAS 339020-48-3) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate
Also Known As: 7N-834, ethyl 3-(2-{2-[(methylamino)carbothioyl]hydrazino}-2-oxoethoxy)pyrido[1,2-a]indole-10-carboxylate, ethyl 3-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate, ethyl 3-({[(methylcarbamothioyl)amino]carbamoyl}methoxy)pyrido[1,2-a]indole-10-carboxylate
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 1.7731 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 1047.017 |
Chemical Identifiers
| CAS Number | 339020-48-3 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)OCC(=O)NNC(=S)NC |
Product Overview
7N-834 (CAS 339020-48-3), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: ethyl 3-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate.
Chemical Property Profile of 7N-834
Property Insights of 7N-834
The XLogP value of 1.7731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7N-834. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7N-834. Following Lipinski's Rule of Five, 7N-834 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 7N-834?
The CAS number of 7N-834 is 339020-48-3.
What is the molecular formula of 7N-834?
The molecular formula of 7N-834 is C19H20N4O4S.
What is the molecular weight of 7N-834?
The molecular weight of 7N-834 is 400.12 g/mol.
Where can I buy 7N-834?
You can request a quote for 7N-834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-834?
Yes, KEHONG BIO provides custom synthesis services for 7N-834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.