氯化尼替定
TL;DR: 氯化尼替定 (CAS 13063-04-2) is a chemical compound with molecular formula C21H18ClNO4 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化尼替定
2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride
Also Known As: Nitidine chloride, Nitidinechloride, Nitidine, chloride, angolinine, Nitidine (chloride)
| Molecular Formula | C21H18ClNO4 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.09244 |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 13063-04-2 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-] |
| InChIKey | QLDAACVSUMUMOR-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化尼替定 (CAS 13063-04-2), with molecular formula C21H18ClNO4 and molecular weight 383.09 g/mol. IUPAC: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride.
Chemical Property Profile of 氯化尼替定
Property Insights of 氯化尼替定
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯化尼替定. With a topological polar surface area (TPSA) of 40.8 Ų, 氯化尼替定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化尼替定 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 氯化尼替定?
The CAS number of 氯化尼替定 is 13063-04-2.
What is the molecular formula of 氯化尼替定?
The molecular formula of 氯化尼替定 is C21H18ClNO4.
What is the molecular weight of 氯化尼替定?
The molecular weight of 氯化尼替定 is 383.09 g/mol.
Where can I buy 氯化尼替定?
You can request a quote for 氯化尼替定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化尼替定?
Yes, KEHONG BIO provides custom synthesis services for 氯化尼替定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.