![2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol structure](/static/products/1010/1010871-96-1.webp)
2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol
TL;DR: 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol (CAS 1010871-96-1) is a chemical compound with molecular formula C22H30N6O2S and molecular weight 442.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol
Also Known As: 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol, 2-(4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol, 2-{4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethanol
| Molecular Formula | C22H30N6O2S |
|---|---|
| Molecular Weight | 442.22 g/mol |
| LogP | 2.45944 |
| Topological Polar Surface Area | 79.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.2151 |
| Heavy Atoms | 31 |
| Complexity | 1113.0919 |
Chemical Identifiers
| CAS Number | 1010871-96-1 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC(=C3C4=C(COC(C4)(C)C)SC3=N2)N5CCN(CC5)CCO)C |
Product Overview
2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol (CAS 1010871-96-1), with molecular formula C22H30N6O2S and molecular weight 442.22 g/mol. IUPAC: 2-[4-[5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol.
Chemical Property Profile of 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol
Property Insights of 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol
The XLogP value of 2.45944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol. The TPSA of 79.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol. Following Lipinski's Rule of Five, 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol has 1 hydrogen bond donor(s) and 8 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 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol?
The CAS number of 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol is 1010871-96-1.
What is the molecular formula of 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol?
The molecular formula of 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol is C22H30N6O2S.
What is the molecular weight of 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol?
The molecular weight of 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol is 442.22 g/mol.
Where can I buy 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol?
You can request a quote for 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[5-(3,5-Dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]piperazin-1-yl]ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.