Sanguirubine Chloride
TL;DR: Sanguirubine Chloride (CAS 55950-33-9) is a chemical compound with molecular formula C22H20ClNO5 and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,16,17-trimethoxy-12-methyl-6,8-dioxa-12-azoniapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2,4,9,11,14,16,18,20-nonaene chloride
Also Known As: Sanguirubine Chloride, 5,9,10-Trimethoxy-12-methyl-2H-benzo[c][1,3]dioxolo[4,5-i]phenanthridin-12-ium chloride
| Molecular Formula | C22H20ClNO5 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 0.7292 |
| Topological Polar Surface Area | 50.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.103 |
| Heavy Atoms | 29 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 55950-33-9 |
|---|---|
| SMILES | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC(=C(C=C5C=C4)OC)OC)OC)OCO3.[Cl-] |
| InChIKey | DXYAIKKJPUTMHP-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sanguirubine Chloride (CAS 55950-33-9), with molecular formula C22H20ClNO5 and molecular weight 413.10 g/mol. IUPAC: 3,16,17-trimethoxy-12-methyl-6,8-dioxa-12-azoniapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2,4,9,11,14,16,18,20-nonaene chloride.
Chemical Property Profile of Sanguirubine Chloride
Property Insights of Sanguirubine Chloride
The XLogP value of 0.7292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sanguirubine Chloride. With a topological polar surface area (TPSA) of 50.0 Ų, Sanguirubine Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sanguirubine Chloride has 0 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 Sanguirubine Chloride?
The CAS number of Sanguirubine Chloride is 55950-33-9.
What is the molecular formula of Sanguirubine Chloride?
The molecular formula of Sanguirubine Chloride is C22H20ClNO5.
What is the molecular weight of Sanguirubine Chloride?
The molecular weight of Sanguirubine Chloride is 413.10 g/mol.
Where can I buy Sanguirubine Chloride?
You can request a quote for Sanguirubine Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sanguirubine Chloride?
Yes, KEHONG BIO provides custom synthesis services for Sanguirubine Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.