Oxynitidine
TL;DR: Oxynitidine (CAS 548-31-2) is a chemical compound with molecular formula C21H17NO5 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one
Also Known As: OXYNITIDINE, 6-oxynitidine, RHOIFOLINE B, 2,3-Dimethoxy-12-methyl-12H-[1,3]dioxolo-[4',5':4,5]benzo[1,2-c]phenanthridin-13-one, 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one
| Molecular Formula | C21H17NO5 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.1107 |
| Heavy Atoms | 27 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 548-31-2 |
|---|---|
| SMILES | CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC |
| InChIKey | TVYBYUSEIMYSFA-UHFFFAOYSA-N |
Product Overview
Oxynitidine (CAS 548-31-2), with molecular formula C21H17NO5 and molecular weight 363.11 g/mol. IUPAC: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one.
Chemical Property Profile of Oxynitidine
Property Insights of Oxynitidine
The XLogP value of 3.6 indicates that Oxynitidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Oxynitidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxynitidine has 0 hydrogen bond donor(s) and 5 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 Oxynitidine?
The CAS number of Oxynitidine is 548-31-2.
What is the molecular formula of Oxynitidine?
The molecular formula of Oxynitidine is C21H17NO5.
What is the molecular weight of Oxynitidine?
The molecular weight of Oxynitidine is 363.11 g/mol.
Where can I buy Oxynitidine?
You can request a quote for Oxynitidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxynitidine?
Yes, KEHONG BIO provides custom synthesis services for Oxynitidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.