Orixinone
TL;DR: Orixinone (CAS 39027-00-4) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,8-dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methylbutan-2-one
Also Known As: Orixinone, 1-(6,8-dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methylbutan-2-one, 1-(6,8-dimethoxy-(1,3)dioxolo(4,5-h)quinolin-7-yl)-3-methylbutan-2-one, 1-(6,8-Dimethoxy-1,3-dioxolo[4,5-h]quinolin-7-yl)-3-methyl-2-butanone, 1-{6,8-dimethoxy-2H-[1,3]dioxolo[4,5-h]quinolin-7-yl}-3-methylbutan-2-one
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.7483 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 769.40314 |
Chemical Identifiers
| CAS Number | 39027-00-4 |
|---|---|
| SMILES | CC(C)C(=O)CC1=C(C2=C(C3=C(C=C2)OCO3)N=C1OC)OC |
Product Overview
Orixinone (CAS 39027-00-4), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: 1-(6,8-dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methylbutan-2-one.
Chemical Property Profile of Orixinone
Property Insights of Orixinone
The XLogP value of 2.7483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orixinone. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Orixinone. Following Lipinski's Rule of Five, Orixinone has 0 hydrogen bond donor(s) and 6 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 Orixinone?
The CAS number of Orixinone is 39027-00-4.
What is the molecular formula of Orixinone?
The molecular formula of Orixinone is C17H19NO5.
What is the molecular weight of Orixinone?
The molecular weight of Orixinone is 317.13 g/mol.
Where can I buy Orixinone?
You can request a quote for Orixinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orixinone?
Yes, KEHONG BIO provides custom synthesis services for Orixinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.