Rutagravine
TL;DR: Rutagravine (CAS 101330-60-3) is a chemical compound with molecular formula C19H17NO5 and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one
Also Known As: Rutagravine, dihydroxy(dimethyl)[?]one, NCI60_021332, 3,6-Dihydroxy-3,12-dimethyl-3,3a,12,12c-tetrahydrofuro[2',3':4,5]furo[2,3-c]acridin-7(2H)-one, 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.0^{2,9}.0^{3,7}.0^{14,19}]icosa-1,9,11,14,16,18-hexaen-13-one
| Molecular Formula | C19H17NO5 |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 1.9806 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 339.1107 |
| Heavy Atoms | 25 |
| Complexity | 1114.4288 |
Chemical Identifiers
| CAS Number | 101330-60-3 |
|---|---|
| SMILES | CC1(COC2C1OC3=C2C4=C(C(=C3)O)C(=O)C5=CC=CC=C5N4C)O |
Product Overview
Rutagravine (CAS 101330-60-3), with molecular formula C19H17NO5 and molecular weight 339.11 g/mol. IUPAC: 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one.
Chemical Property Profile of Rutagravine
Property Insights of Rutagravine
The XLogP value of 1.9806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rutagravine. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Rutagravine. Following Lipinski's Rule of Five, Rutagravine has 2 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 Rutagravine?
The CAS number of Rutagravine is 101330-60-3.
What is the molecular formula of Rutagravine?
The molecular formula of Rutagravine is C19H17NO5.
What is the molecular weight of Rutagravine?
The molecular weight of Rutagravine is 339.11 g/mol.
Where can I buy Rutagravine?
You can request a quote for Rutagravine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rutagravine?
Yes, KEHONG BIO provides custom synthesis services for Rutagravine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.