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8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CAS 418809-25-3) is a chemical compound with molecular formula C11H8BrN3O and molecular weight 276.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one, AI-020/34586026, 8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C11H8BrN3O |
|---|---|
| Molecular Weight | 276.99 g/mol |
| LogP | 2.1773 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.98508 |
| Heavy Atoms | 16 |
| Complexity | 756.84106 |
Chemical Identifiers
| CAS Number | 418809-25-3 |
|---|---|
| SMILES | CN1C=NC2=C(C1=O)NC3=C2C=C(C=C3)Br |
Product Overview
8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CAS 418809-25-3), with molecular formula C11H8BrN3O and molecular weight 276.99 g/mol. IUPAC: 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.1773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one. With a topological polar surface area (TPSA) of 50.68 Ų, 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one 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 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one is 418809-25-3.
What is the molecular formula of 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one is C11H8BrN3O.
What is the molecular weight of 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one is 276.99 g/mol.
Where can I buy 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.