![2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one structure](/static/products/958/958940-08-4.png)
2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one (CAS 958940-08-4) is a chemical compound with molecular formula C14H17N5O3 and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylpyrazol-1-yl)-9-(2-hydroxyethyl)-7,8-dihydropyrimido[4,5-e][1,4]oxazepin-5-one
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one, 2-(3,5-dimethylpyrazol-1-yl)-9-(2-hydroxyethyl)-7,8-dihydropyrimido[4,5-e][1,4]oxazepin-5-one, 2-(3,5-Dimethyl-pyrazol-1-yl)-9-(2-hydroxy-ethyl)-8,9-dihydro-7H-pyrimido[4,5-e][1,4]oxazepin-5-one
| Molecular Formula | C14H17N5O3 |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 0.24824 |
| Topological Polar Surface Area | 93.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.13315 |
| Heavy Atoms | 22 |
| Complexity | 712.499 |
Chemical Identifiers
| CAS Number | 958940-08-4 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC=C3C(=N2)N(CCOC3=O)CCO)C |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one (CAS 958940-08-4), with molecular formula C14H17N5O3 and molecular weight 303.13 g/mol. IUPAC: 2-(3,5-dimethylpyrazol-1-yl)-9-(2-hydroxyethyl)-7,8-dihydropyrimido[4,5-e][1,4]oxazepin-5-one.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one
The XLogP value of 0.24824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one. The TPSA of 93.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one has 1 hydrogen bond donor(s) and 7 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-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one is 958940-08-4.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one is C14H17N5O3.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one is 303.13 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-(2-hydroxyethyl)-8,9-dihydropyrimido[4,5-e][1,4]oxazepin-5(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.