1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione
TL;DR: 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione (CAS 37612-80-9) is a chemical compound with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-bis(3,5-dimethylpyrazol-1-yl)hexane-1,6-dione
Also Known As: BAS 00342559, 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione, J2.803.851H, 1,6-bis(3,5-dimethylpyrazol-1-yl)hexane-1,6-dione, 1,6-bis(3,5-dimethylpyrazolyl)hexane-1,6-dione
| Molecular Formula | C16H22N4O2 |
|---|---|
| Molecular Weight | 302.17 g/mol |
| LogP | 2.85428 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1743 |
| Heavy Atoms | 22 |
| Complexity | 636.8144 |
Chemical Identifiers
| CAS Number | 37612-80-9 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)CCCCC(=O)N2C(=CC(=N2)C)C)C |
Product Overview
1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione (CAS 37612-80-9), with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol. IUPAC: 1,6-bis(3,5-dimethylpyrazol-1-yl)hexane-1,6-dione.
Chemical Property Profile of 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione
Property Insights of 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione
The XLogP value of 2.85428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione. Following Lipinski's Rule of Five, 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione has 0 hydrogen bond donor(s) and 4 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 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione?
The CAS number of 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione is 37612-80-9.
What is the molecular formula of 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione?
The molecular formula of 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione is C16H22N4O2.
What is the molecular weight of 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione?
The molecular weight of 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione is 302.17 g/mol.
Where can I buy 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione?
You can request a quote for 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)hexane-1,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.