4-Azakenpaullone
TL;DR: 4-Azakenpaullone (CAS 676596-60-4) is a chemical compound with molecular formula C15H10BrN3O and molecular weight 327.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-bromo-6,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one
Also Known As: 4-Azakenpaullone, EX-A7813P, J2.043.846K, 5,6-[Imino(4-bromo-1,2-phenylene)]-8,9-dihydro-7H-pyrido[2,3-b]azepine-8-one, Pyrido[2',3':2,3]azepino[4,5-b]indol-6(4H)-one, 9-bromo-7,12-dihydro-
| Molecular Formula | C15H10BrN3O |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | 3.487 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 327.00073 |
| Heavy Atoms | 20 |
| Complexity | 853.4459 |
Chemical Identifiers
| CAS Number | 676596-60-4 |
|---|---|
| SMILES | C1C2=C(C3=C(NC1=O)N=CC=C3)NC4=C2C=C(C=C4)Br |
Product Overview
4-Azakenpaullone (CAS 676596-60-4), with molecular formula C15H10BrN3O and molecular weight 327.00 g/mol. IUPAC: 14-bromo-6,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one.
Chemical Property Profile of 4-Azakenpaullone
Property Insights of 4-Azakenpaullone
The XLogP value of 3.487 indicates that 4-Azakenpaullone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.78 Ų, 4-Azakenpaullone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Azakenpaullone has 2 hydrogen bond donor(s) and 2 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 4-Azakenpaullone?
The CAS number of 4-Azakenpaullone is 676596-60-4.
What is the molecular formula of 4-Azakenpaullone?
The molecular formula of 4-Azakenpaullone is C15H10BrN3O.
What is the molecular weight of 4-Azakenpaullone?
The molecular weight of 4-Azakenpaullone is 327.00 g/mol.
Where can I buy 4-Azakenpaullone?
You can request a quote for 4-Azakenpaullone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azakenpaullone?
Yes, KEHONG BIO provides custom synthesis services for 4-Azakenpaullone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.