3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide
TL;DR: 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide (CAS 210417-14-4) is a chemical compound with molecular formula C8H12N4O and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-4,5,6,7-tetrahydro-1H-indazole-2-carboximidamide
Also Known As: Isopropylformate, 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide, oxohexahydroindazolecarboximidamide, 3-oxo-4,5,6,7-tetrahydro-1H-indazole-2-carboximidamide, 7153AD
| Molecular Formula | C8H12N4O |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.1011 |
| Heavy Atoms | 13 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 210417-14-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(N2)C(=N)N |
| InChIKey | JSUZAXZCHGYTBO-UHFFFAOYSA-N |
Product Overview
3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide (CAS 210417-14-4), with molecular formula C8H12N4O and molecular weight 180.10 g/mol. IUPAC: 3-oxo-4,5,6,7-tetrahydro-1H-indazole-2-carboximidamide.
Chemical Property Profile of 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide
Property Insights of 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide. Following Lipinski's Rule of Five, 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide has 3 hydrogen bond donor(s) and 3 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 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide?
The CAS number of 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide is 210417-14-4.
What is the molecular formula of 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide?
The molecular formula of 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide is C8H12N4O.
What is the molecular weight of 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide?
The molecular weight of 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide is 180.10 g/mol.
Where can I buy 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide?
You can request a quote for 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-1,3,4,5,6,7-hexahydro-2H-indazole-2-carboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.