6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole
TL;DR: 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole (CAS 77762-30-2) is a chemical compound with molecular formula C12H8N4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,8,16-tetrazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
Also Known As: 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole, 6H-Pyrimido[2',1':2,3]imidazo[4,5-b]indole, NCI60_003326, 6H-pyrimido(2,1:2,3)imidazo(4,5-b)indole, pyrimidino(2',1':2,3)imidazo(4,5-b)indole
| Molecular Formula | C12H8N4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.07489 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 77762-30-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)N4C=CC=NC4=N3 |
| InChIKey | NZCNBDIYEPILFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole (CAS 77762-30-2), with molecular formula C12H8N4 and molecular weight 208.07 g/mol. IUPAC: 2,6,8,16-tetrazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
Chemical Property Profile of 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole
Property Insights of 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole
The XLogP value of 3.0 indicates that 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.0 Ų, 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole has 1 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 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole?
The CAS number of 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole is 77762-30-2.
What is the molecular formula of 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole?
The molecular formula of 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole is C12H8N4.
What is the molecular weight of 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole?
The molecular weight of 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole is 208.07 g/mol.
Where can I buy 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole?
You can request a quote for 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole?
Yes, KEHONG BIO provides custom synthesis services for 6H-Pyrimido(2',1':2,3)imidazo(4,5-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.