番紅
TL;DR: 番紅 (CAS 477-73-6) is a chemical compound with molecular formula C20H19ClN4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
番紅
1,8-dimethyl-5-phenylphenazin-5-ium-2,7-diamine chloride
Also Known As: Tolusafranine, Safranin, Safranine O (C.I. 50240), 2,7-diamino-1,8-dimethyl-5-phenylphenazin-5-ium chloride, I14-51962
| Molecular Formula | C20H19ClN4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 0.45 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.12982 |
| Heavy Atoms | 25 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 477-73-6 |
|---|---|
| SMILES | CC1=CC2=NC3=C(C=CC(=C3C)N)[N+](=C2C=C1N)C4=CC=CC=C4.[Cl-] |
| InChIKey | QRYAEWIQIBAZOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
番紅 (CAS 477-73-6), with molecular formula C20H19ClN4 and molecular weight 350.13 g/mol. IUPAC: 1,8-dimethyl-5-phenylphenazin-5-ium-2,7-diamine chloride.
Chemical Property Profile of 番紅
Property Insights of 番紅
The XLogP value of 0.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 番紅. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 番紅. Following Lipinski's Rule of Five, 番紅 has 2 hydrogen bond donor(s) and 4 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 番紅?
The CAS number of 番紅 is 477-73-6.
What is the molecular formula of 番紅?
The molecular formula of 番紅 is C20H19ClN4.
What is the molecular weight of 番紅?
The molecular weight of 番紅 is 350.13 g/mol.
Where can I buy 番紅?
You can request a quote for 番紅 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 番紅?
Yes, KEHONG BIO provides custom synthesis services for 番紅 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.