5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i
TL;DR: 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i (CAS 68212-86-2) is a chemical compound with molecular formula C11H16N6O and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-imidazo[4,5-d]imidazol-2-one
Also Known As: 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i, 5-(3,5-Dimethyl-1H-pyrazol-1-yl)-3a,6a-dimethyl-3,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one, 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-imidazo[4,5-d]imidazol-2-one
| Molecular Formula | C11H16N6O |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.13857 |
| Heavy Atoms | 18 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 68212-86-2 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3(C(N2)(NC(=O)N3)C)C)C |
| InChIKey | DCUARVWIBJHMEM-UHFFFAOYSA-N |
Product Overview
5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i (CAS 68212-86-2), with molecular formula C11H16N6O and molecular weight 248.14 g/mol. IUPAC: 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-imidazo[4,5-d]imidazol-2-one.
Chemical Property Profile of 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i
Property Insights of 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i. Following Lipinski's Rule of Five, 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i 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 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i?
The CAS number of 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i is 68212-86-2.
What is the molecular formula of 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i?
The molecular formula of 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i is C11H16N6O.
What is the molecular weight of 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i?
The molecular weight of 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i is 248.14 g/mol.
Where can I buy 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i?
You can request a quote for 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-dimethylpyrazol-1-yl)-3a,6a-dimethyl-3,6-dihydro-1H-i and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.