Topoisomerase II inhibitor 13
TL;DR: Topoisomerase II inhibitor 13 (CAS 451515-89-2) is a chemical compound with molecular formula C22H23N9 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: Topoisomerase II inhibitor 13, BAS 05162043, 6-Amino-7-(1H-benzo[d]imidazol-2-yl)-5-(3-(diethylamino)propyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, J3.364.233D, AE-641/40789915
| Molecular Formula | C22H23N9 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 3.03206 |
| Topological Polar Surface Area | 136.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.20764 |
| Heavy Atoms | 31 |
| Complexity | 1296.258 |
Chemical Identifiers
| CAS Number | 451515-89-2 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4N3)N |
Product Overview
Topoisomerase II inhibitor 13 (CAS 451515-89-2), with molecular formula C22H23N9 and molecular weight 413.21 g/mol. IUPAC: 6-amino-7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of Topoisomerase II inhibitor 13
Property Insights of Topoisomerase II inhibitor 13
The XLogP value of 3.03206 indicates that Topoisomerase II inhibitor 13 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Topoisomerase II inhibitor 13. Following Lipinski's Rule of Five, Topoisomerase II inhibitor 13 has 2 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 Topoisomerase II inhibitor 13?
The CAS number of Topoisomerase II inhibitor 13 is 451515-89-2.
What is the molecular formula of Topoisomerase II inhibitor 13?
The molecular formula of Topoisomerase II inhibitor 13 is C22H23N9.
What is the molecular weight of Topoisomerase II inhibitor 13?
The molecular weight of Topoisomerase II inhibitor 13 is 413.21 g/mol.
Where can I buy Topoisomerase II inhibitor 13?
You can request a quote for Topoisomerase II inhibitor 13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Topoisomerase II inhibitor 13?
Yes, KEHONG BIO provides custom synthesis services for Topoisomerase II inhibitor 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.