![3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione structure](/static/products/302/302344-76-9.png)
3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione
TL;DR: 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione (CAS 302344-76-9) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,5-c]azepine-4,6-dione
Also Known As: 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione, 3,7,7-trimethyl-1-phenyl-5H,8H-pyrazolo[5,4-e]azepine-4,6-dione, 3,7,7-trimethyl-1-phenyl-7,8-dihydropyrazolo[4,3-c]azepine-4,6(1H,5H)-dione
| Molecular Formula | C16H17N3O2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.13208 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 302344-76-9 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)NC(=O)C(C2)(C)C)C3=CC=CC=C3 |
| InChIKey | ONDFYQDVUMAHPE-UHFFFAOYSA-N |
Product Overview
3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione (CAS 302344-76-9), with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol. IUPAC: 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,5-c]azepine-4,6-dione.
Chemical Property Profile of 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione
Property Insights of 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione. Following Lipinski's Rule of Five, 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione 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 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione?
The CAS number of 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione is 302344-76-9.
What is the molecular formula of 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione?
The molecular formula of 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione is C16H17N3O2.
What is the molecular weight of 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione?
The molecular weight of 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione is 283.13 g/mol.
Where can I buy 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione?
You can request a quote for 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.