3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one
TL;DR: 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one (CAS 77931-63-6) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7,8-dihydro-4H-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one
Also Known As: 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one, 3-methyl-7,8-dihydro-4H-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one, 3-Methyl-7,8-dihydroisoxazolo[4,5-d][1,3]oxazepin-5(4H)-one, 7,8-DIHYDRO-3-METHYLISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE, ISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE, 7,8-DIHYDRO-3-METHYL-
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 77931-63-6 |
|---|---|
| SMILES | CC1=NOC2=C1NC(=O)OCC2 |
| InChIKey | LKQZEUSXEROTKP-UHFFFAOYSA-N |
Product Overview
3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one (CAS 77931-63-6), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: 3-methyl-7,8-dihydro-4H-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one.
Chemical Property Profile of 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one
Property Insights of 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one. Following Lipinski's Rule of Five, 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one has 1 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 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
The CAS number of 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one is 77931-63-6.
What is the molecular formula of 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
The molecular formula of 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one is C7H8N2O3.
What is the molecular weight of 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
The molecular weight of 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one is 168.05 g/mol.
Where can I buy 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
You can request a quote for 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.