8H-937
TL;DR: 8H-937 (CAS 339099-08-0) is a chemical compound with molecular formula C16H12N4O4 and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5-cyano-2,4-dioxopyrimidin-1-yl)-1H-indole-2-carboxylate
Also Known As: 8H-937, ethyl 3-(5-cyano-2,4-dioxopyrimidin-1-yl)-1H-indole-2-carboxylate, ethyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-1H-indole-2-carboxylate, ethyl 3-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-1H-indole-2-carboxylate, Ethyl 3-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-1H-indole-2-carboxylate
| Molecular Formula | C16H12N4O4 |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 1.05548 |
| Topological Polar Surface Area | 120.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.08585 |
| Heavy Atoms | 24 |
| Complexity | 1097.6885 |
Chemical Identifiers
| CAS Number | 339099-08-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)N3C=C(C(=O)NC3=O)C#N |
Product Overview
8H-937 (CAS 339099-08-0), with molecular formula C16H12N4O4 and molecular weight 324.09 g/mol. IUPAC: ethyl 3-(5-cyano-2,4-dioxopyrimidin-1-yl)-1H-indole-2-carboxylate.
Chemical Property Profile of 8H-937
Property Insights of 8H-937
The XLogP value of 1.05548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8H-937. The TPSA of 120.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 8H-937. Following Lipinski's Rule of Five, 8H-937 has 2 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 8H-937?
The CAS number of 8H-937 is 339099-08-0.
What is the molecular formula of 8H-937?
The molecular formula of 8H-937 is C16H12N4O4.
What is the molecular weight of 8H-937?
The molecular weight of 8H-937 is 324.09 g/mol.
Where can I buy 8H-937?
You can request a quote for 8H-937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8H-937?
Yes, KEHONG BIO provides custom synthesis services for 8H-937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.