![5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/330/330439-82-2.png)
5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 330439-82-2) is a chemical compound with molecular formula C18H14BrN3O and molecular weight 367.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-8-bromo-3-methylpyrimido[5,4-b]indol-4-one
Also Known As: 5-benzyl-8-bromo-3-methylpyrimido[5,4-b]indol-4-one, 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 5-benzyl-8-bromo-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C18H14BrN3O |
|---|---|
| Molecular Weight | 367.03 g/mol |
| LogP | 3.699 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.032 |
| Heavy Atoms | 23 |
| Complexity | 1080.2635 |
Chemical Identifiers
| CAS Number | 330439-82-2 |
|---|---|
| SMILES | CN1C=NC2=C(C1=O)N(C3=C2C=C(C=C3)Br)CC4=CC=CC=C4 |
Product Overview
5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 330439-82-2), with molecular formula C18H14BrN3O and molecular weight 367.03 g/mol. IUPAC: 5-benzyl-8-bromo-3-methylpyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.699 indicates that 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 0 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 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 330439-82-2.
What is the molecular formula of 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C18H14BrN3O.
What is the molecular weight of 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 367.03 g/mol.
Where can I buy 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-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 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-8-bromo-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.