![3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one structure](/static/products/220/220050-91-9.png)
3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one
TL;DR: 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one (CAS 220050-91-9) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,6-trimethyl-5,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
Also Known As: 3,6,6-trimethyl-4h,5h,6h,7h-[1,2]oxazolo[4,5-c]pyridin-4-one, 3,6,6-trimethyl-5,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one, 3,6,6-trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one, 3,3,7-trimethyl-9-oxa-4,8-diazabicyclo[4.3.0]nona-7,10-dien-5-one, InChI=1/C9H12N2O2/c1-5-7-6(13-11-5)4-9(2,3)10-8(7)12/h4H2,1-3H3,(H,10,12
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.04752 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 365.69165 |
Chemical Identifiers
| CAS Number | 220050-91-9 |
|---|---|
| SMILES | CC1=NOC2=C1C(=O)NC(C2)(C)C |
Product Overview
3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one (CAS 220050-91-9), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 3,6,6-trimethyl-5,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one.
Chemical Property Profile of 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one
Property Insights of 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one
The XLogP value of 1.04752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one. With a topological polar surface area (TPSA) of 55.13 Ų, 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one 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 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one?
The CAS number of 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one is 220050-91-9.
What is the molecular formula of 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one?
The molecular formula of 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one is C9H12N2O2.
What is the molecular weight of 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one?
The molecular weight of 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one is 180.09 g/mol.
Where can I buy 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one?
You can request a quote for 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6,6-Trimethyl-6,7-dihydro-isoxazolo[4,5-c]pyridin-4(5h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.