3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one
TL;DR: 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one (CAS 72499-52-6) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,7-trimethyl-4,8-dihydro-2H-pyrazolo[4,3-d][1,3]oxazepin-5-one
Also Known As: 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one, 3,7,7-trimethyl-4,8-dihydro-2H-pyrazolo[4,3-d][1,3]oxazepin-5-one, 3,7,7-Trimethyl-2,4,7,8-tetrahydro-5H-pyrazolo[4,3-d][1,3]oxazepin-5-one, 5H-PYRAZOLO(4,3-D)(1,3)OXAZEPIN-5-ONE, 1,4,7,8-TETRAHYDRO-3,7,7-TRIMETHYL-, 3,7,7-trimethyl-4,8-dihydro-1H-pyrazolo[4,3-d][1,3]oxazepin-5-one
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 72499-52-6 |
|---|---|
| SMILES | CC1=C2C(=NN1)CC(OC(=O)N2)(C)C |
| InChIKey | WDDQQKDROQENFZ-UHFFFAOYSA-N |
Product Overview
3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one (CAS 72499-52-6), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: 3,7,7-trimethyl-4,8-dihydro-2H-pyrazolo[4,3-d][1,3]oxazepin-5-one.
Chemical Property Profile of 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one
Property Insights of 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one. Following Lipinski's Rule of Five, 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one has 2 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-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one?
The CAS number of 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one is 72499-52-6.
What is the molecular formula of 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one?
The molecular formula of 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one is C9H13N3O2.
What is the molecular weight of 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one?
The molecular weight of 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one is 195.10 g/mol.
Where can I buy 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one?
You can request a quote for 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one 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-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7,7-Trimethyl-1,4,7,8-tetrahydro-5H-pyrazolo(4,3-d)(1,3)oxazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.