Topovale
TL;DR: Topovale (CAS 500214-53-9) is a chemical compound with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21-[2-(dimethylamino)ethyl]-16,17-dimethoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
Also Known As: Topovale, Topoval, J1.813.377F, 169787-EP2286812A1, 12-(2-(dimethylamino)ethyl)-2,3-dimethoxy-[1,3]dioxolo[4',5':4,5]benzo[1,2-h]benzo[c][1,6]naphthyridin-13(12H)-one
| Molecular Formula | C23H23N3O5 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 3.0104 |
| Topological Polar Surface Area | 75.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.16376 |
| Heavy Atoms | 31 |
| Complexity | 1393.8768 |
Chemical Identifiers
| CAS Number | 500214-53-9 |
|---|---|
| SMILES | CN(C)CCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC |
Product Overview
Topovale (CAS 500214-53-9), with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol. IUPAC: 21-[2-(dimethylamino)ethyl]-16,17-dimethoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one.
Chemical Property Profile of Topovale
Property Insights of Topovale
The XLogP value of 3.0104 indicates that Topovale is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Topovale. Following Lipinski's Rule of Five, Topovale has 0 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 Topovale?
The CAS number of Topovale is 500214-53-9.
What is the molecular formula of Topovale?
The molecular formula of Topovale is C23H23N3O5.
What is the molecular weight of Topovale?
The molecular weight of Topovale is 421.16 g/mol.
Where can I buy Topovale?
You can request a quote for Topovale directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Topovale?
Yes, KEHONG BIO provides custom synthesis services for Topovale and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.