6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one
TL;DR: 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one (CAS 667889-41-0) is a chemical compound with molecular formula C13H14N2OS and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one
Also Known As: 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one, AP-060/41942512, 6,6-dimethyl-3-(2-thienyl)-1,5,6,7-tetrahydro-4H-indazol-4-one, 6,6-dimethyl-3-thien-2-yl-1,5,6,7-tetrahydro-4H-indazol-4-one, A3105/0131498
| Molecular Formula | C13H14N2OS |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.08269 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 667889-41-0 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=NN2)C3=CC=CS3)C |
| InChIKey | CFRKYGGFFATMNI-UHFFFAOYSA-N |
Product Overview
6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one (CAS 667889-41-0), with molecular formula C13H14N2OS and molecular weight 246.08 g/mol. IUPAC: 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one.
Chemical Property Profile of 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one
Property Insights of 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one. Following Lipinski's Rule of Five, 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one has 1 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 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one?
The CAS number of 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one is 667889-41-0.
What is the molecular formula of 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one?
The molecular formula of 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one is C13H14N2OS.
What is the molecular weight of 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one?
The molecular weight of 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one is 246.08 g/mol.
Where can I buy 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one?
You can request a quote for 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.