ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate
TL;DR: ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate (CAS 210417-26-8) is a chemical compound with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxo-2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate, NCI60_028753, ethyl 6-oxo-2-(3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-2-yl)-1,6-dihydropyrimidine-5-carboxylate, 8W-0230, ethyl 6-oxo-2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)-1H-pyrimidine-5-carboxylate
| Molecular Formula | C14H16N4O4 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.11716 |
| Heavy Atoms | 22 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 210417-26-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C3=C(N2)CCCC3 |
| InChIKey | JMQKUBQDZZKADW-UHFFFAOYSA-N |
Product Overview
ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate (CAS 210417-26-8), with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol. IUPAC: ethyl 6-oxo-2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate
Property Insights of ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate has 2 hydrogen bond donor(s) and 6 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 ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate?
The CAS number of ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate is 210417-26-8.
What is the molecular formula of ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate?
The molecular formula of ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate is C14H16N4O4.
What is the molecular weight of ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate?
The molecular weight of ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate is 304.12 g/mol.
Where can I buy ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate?
You can request a quote for ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.