3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one
TL;DR: 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one (CAS 77931-65-8) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 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-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one
Also Known As: 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one, 3,7,7-trimethyl-4,8-dihydro-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one, 3,7,7-trimethyl-4,8-dihydroisoxazolo[4,5-d][1,3]oxazepin-5-one, 3,7,7-Trimethyl-7,8-dihydro[1,2]oxazolo[4,5-d][1,3]oxazepin-5(4H)-one, 3,7,7-Trimethyl-7,8-dihydroisoxazolo[4,5-d][1,3]oxazepin-5(4H)-one
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 77931-65-8 |
|---|---|
| SMILES | CC1=NOC2=C1NC(=O)OC(C2)(C)C |
| InChIKey | SSZRWCKRZZYAAF-UHFFFAOYSA-N |
Product Overview
3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one (CAS 77931-65-8), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: 3,7,7-trimethyl-4,8-dihydro-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one.
Chemical Property Profile of 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one
Property Insights of 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,7-Trimethyl-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 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one. Following Lipinski's Rule of Five, 3,7,7-Trimethyl-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 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
The CAS number of 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one is 77931-65-8.
What is the molecular formula of 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
The molecular formula of 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one is C9H12N2O3.
What is the molecular weight of 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
The molecular weight of 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one is 196.08 g/mol.
Where can I buy 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
You can request a quote for 3,7,7-Trimethyl-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 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7,7-Trimethyl-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.