7N-840
TL;DR: 7N-840 (CAS 339020-52-9) is a chemical compound with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate
Also Known As: 7N-840, ethyl 3-(2-{2-[(ethylamino)carbothioyl]hydrazino}-2-oxoethoxy)pyrido[1,2-a]indole-10-carboxylate, ethyl 3-[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate, ethyl 3-({[(ethylcarbamothioyl)amino]carbamoyl}methoxy)pyrido[1,2-a]indole-10-carboxylate, Ethyl 3-(2-(2-(ethylcarbamothioyl)hydrazinyl)-2-oxoethoxy)pyrido[1,2-a]indole-10-carboxylate
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 2.1632 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 1063.2474 |
Chemical Identifiers
| CAS Number | 339020-52-9 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)COC1=CC2=C(C=C1)C(=C3N2C=CC=C3)C(=O)OCC |
Product Overview
7N-840 (CAS 339020-52-9), with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol. IUPAC: ethyl 3-[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate.
Chemical Property Profile of 7N-840
Property Insights of 7N-840
The XLogP value of 2.1632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7N-840. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7N-840. Following Lipinski's Rule of Five, 7N-840 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-840?
The CAS number of 7N-840 is 339020-52-9.
What is the molecular formula of 7N-840?
The molecular formula of 7N-840 is C20H22N4O4S.
What is the molecular weight of 7N-840?
The molecular weight of 7N-840 is 414.14 g/mol.
Where can I buy 7N-840?
You can request a quote for 7N-840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-840?
Yes, KEHONG BIO provides custom synthesis services for 7N-840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.