Nitidine chloroacetate
TL;DR: Nitidine chloroacetate (CAS 54785-51-2) is a chemical compound with molecular formula C23H21ClNO6+ and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroacetic acid;2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Also Known As: Nitidine chloroacetate, [1,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, salt with chloroacetic acid (1:1), 2-chloroacetic acid; 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Acetic acid, ion(1-), 2,3-dimethoxy-12-methyl[1,3]benzodixolo[5,6-c]phenanthridinium, [1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, salt with chloroacetic acid (1:1)
| Molecular Formula | C23H21ClNO6+ |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 4.0264 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.10574 |
| Heavy Atoms | 31 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 54785-51-2 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.C(C(=O)O)Cl |
| InChIKey | SPPZBHULHWTJNI-UHFFFAOYSA-N |
Product Overview
Nitidine chloroacetate (CAS 54785-51-2), with molecular formula C23H21ClNO6+ and molecular weight 442.11 g/mol. IUPAC: 2-chloroacetic acid;2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium.
Chemical Property Profile of Nitidine chloroacetate
Property Insights of Nitidine chloroacetate
The XLogP value of 4.0264 indicates that Nitidine chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitidine chloroacetate. Following Lipinski's Rule of Five, Nitidine chloroacetate has 1 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 Nitidine chloroacetate?
The CAS number of Nitidine chloroacetate is 54785-51-2.
What is the molecular formula of Nitidine chloroacetate?
The molecular formula of Nitidine chloroacetate is C23H21ClNO6+.
What is the molecular weight of Nitidine chloroacetate?
The molecular weight of Nitidine chloroacetate is 442.11 g/mol.
Where can I buy Nitidine chloroacetate?
You can request a quote for Nitidine chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitidine chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Nitidine chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.