Bbr 3438
TL;DR: Bbr 3438 (CAS 438244-41-8) is a chemical compound with molecular formula C20H26Cl2N6O2 and molecular weight 452.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(methylamino)ethylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one;dihydrochloride
Also Known As: Nortopixantrone HCl, Nortopixantrone hydrochloride, BBR 3438, nortopixantrone dihydrochloride, Nortopixantrone (dihydrochloride)
| Molecular Formula | C20H26Cl2N6O2 |
|---|---|
| Molecular Weight | 452.15 g/mol |
| LogP | 1.6995 |
| Topological Polar Surface Area | 104.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.14944 |
| Heavy Atoms | 30 |
| Complexity | 1023.9445 |
Chemical Identifiers
| CAS Number | 438244-41-8 |
|---|---|
| SMILES | CNCCNC1=C2C3=C(C=C1)N(N=C3C4=C(C2=O)C=CN=C4)CCNCCO.Cl.Cl |
Product Overview
Bbr 3438 (CAS 438244-41-8), with molecular formula C20H26Cl2N6O2 and molecular weight 452.15 g/mol. IUPAC: 14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(methylamino)ethylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one;dihydrochloride.
Chemical Property Profile of Bbr 3438
Property Insights of Bbr 3438
The XLogP value of 1.6995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bbr 3438. The TPSA of 104.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bbr 3438. Following Lipinski's Rule of Five, Bbr 3438 has 4 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 Bbr 3438?
The CAS number of Bbr 3438 is 438244-41-8.
What is the molecular formula of Bbr 3438?
The molecular formula of Bbr 3438 is C20H26Cl2N6O2.
What is the molecular weight of Bbr 3438?
The molecular weight of Bbr 3438 is 452.15 g/mol.
Where can I buy Bbr 3438?
You can request a quote for Bbr 3438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bbr 3438?
Yes, KEHONG BIO provides custom synthesis services for Bbr 3438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.