RefChem:1065236
TL;DR: RefChem:1065236 (CAS 117611-98-0) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-(4-methylphenyl)-7-oxo-3,5-dihydrofuro[3,4-b]pyran-4-imine oxide
Also Known As: 3,4-Dihydro-2,2-dimethyl-4-((4-methylphenyl)imino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide, 2H-Furo(3,4-b)pyran-7(5H)-one, 3,4-dihydro-2,2-dimethyl-4-((4-methylphenyl)imino)-, N-oxide, 2,2-dimethyl-N-(4-methylphenyl)-7-oxo-3,5-dihydrofuro[3,4-b]pyran-4-imine oxide, RefChem:1065236
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.58762 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 668.02234 |
Chemical Identifiers
| CAS Number | 117611-98-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/[N+](=C\2/CC(OC3=C2COC3=O)(C)C)/[O-] |
Product Overview
RefChem:1065236 (CAS 117611-98-0), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 2,2-dimethyl-N-(4-methylphenyl)-7-oxo-3,5-dihydrofuro[3,4-b]pyran-4-imine oxide.
Chemical Property Profile of RefChem:1065236
Property Insights of RefChem:1065236
The XLogP value of 2.58762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065236. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065236. Following Lipinski's Rule of Five, RefChem:1065236 has 0 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 RefChem:1065236?
The CAS number of RefChem:1065236 is 117611-98-0.
What is the molecular formula of RefChem:1065236?
The molecular formula of RefChem:1065236 is C16H17NO4.
What is the molecular weight of RefChem:1065236?
The molecular weight of RefChem:1065236 is 287.12 g/mol.
Where can I buy RefChem:1065236?
You can request a quote for RefChem:1065236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065236?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.