Nitidine methyl sulfate
TL;DR: Nitidine methyl sulfate (CAS 41349-35-3) is a chemical compound with molecular formula C22H21NO8S and molecular weight 459.10 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-12-ium;methyl sulfate
Also Known As: Nitidine methyl sulfate, Nitidine methosulfate, (1,3)-Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, methylsulfate, (1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, methyl sulfate, 2,3-Dimethoxy-12-methyl-(1,3)-benzodioxolo(5,6-c)phenanthridinium methylsulfate
| Molecular Formula | C22H21NO8S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 2.81 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.0988 |
| Heavy Atoms | 32 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 41349-35-3 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.COS(=O)(=O)[O-] |
| InChIKey | RQQPNGIYTFBRBS-UHFFFAOYSA-M |
Product Overview
Nitidine methyl sulfate (CAS 41349-35-3), with molecular formula C22H21NO8S and molecular weight 459.10 g/mol. IUPAC: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;methyl sulfate.
Chemical Property Profile of Nitidine methyl sulfate
Property Insights of Nitidine methyl sulfate
The XLogP value of 2.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitidine methyl sulfate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitidine methyl sulfate. Following Lipinski's Rule of Five, Nitidine methyl sulfate has 0 hydrogen bond donor(s) and 8 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 Nitidine methyl sulfate?
The CAS number of Nitidine methyl sulfate is 41349-35-3.
What is the molecular formula of Nitidine methyl sulfate?
The molecular formula of Nitidine methyl sulfate is C22H21NO8S.
What is the molecular weight of Nitidine methyl sulfate?
The molecular weight of Nitidine methyl sulfate is 459.10 g/mol.
Where can I buy Nitidine methyl sulfate?
You can request a quote for Nitidine methyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitidine methyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for Nitidine methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.