Pareirubrine A
TL;DR: Pareirubrine A (CAS 147044-68-6) is a chemical compound with molecular formula C20H17NO6 and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-7,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one
Also Known As: Pareirubrine A, Pareirubrine, J1.839.577K, 10H-Azuleno(1,2,3-ij)isoquinolin-10-one, 9-hydroxy-4,5,6,11-tetramethoxy-, 6-Hydroxy-7,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one
| Molecular Formula | C20H17NO6 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1056 |
| Heavy Atoms | 27 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 147044-68-6 |
|---|---|
| SMILES | COC1=C(C(=C2C3=C(C(=C(C(=O)C=C3)O)OC)C4=NC=CC1=C24)OC)OC |
| InChIKey | VEZOPPGUPLMWKT-UHFFFAOYSA-N |
Product Overview
Pareirubrine A (CAS 147044-68-6), with molecular formula C20H17NO6 and molecular weight 367.11 g/mol. IUPAC: 6-hydroxy-7,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one.
Chemical Property Profile of Pareirubrine A
Property Insights of Pareirubrine A
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pareirubrine A. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pareirubrine A. Following Lipinski's Rule of Five, Pareirubrine A has 1 hydrogen bond donor(s) and 7 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 Pareirubrine A?
The CAS number of Pareirubrine A is 147044-68-6.
What is the molecular formula of Pareirubrine A?
The molecular formula of Pareirubrine A is C20H17NO6.
What is the molecular weight of Pareirubrine A?
The molecular weight of Pareirubrine A is 367.11 g/mol.
Where can I buy Pareirubrine A?
You can request a quote for Pareirubrine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pareirubrine A?
Yes, KEHONG BIO provides custom synthesis services for Pareirubrine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.