![4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile structure](/static/products/372/372174-85-1.png)
4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
TL;DR: 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile (CAS 372174-85-1) is a chemical compound with molecular formula C18H12N4O and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile
Also Known As: 4-[(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile, 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile, 4-({4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)benzonitrile, 4-[(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile
| Molecular Formula | C18H12N4O |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 2.79778 |
| Topological Polar Surface Area | 74.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.1011 |
| Heavy Atoms | 23 |
| Complexity | 1113.8824 |
Chemical Identifiers
| CAS Number | 372174-85-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C#N |
Product Overview
4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile (CAS 372174-85-1), with molecular formula C18H12N4O and molecular weight 300.10 g/mol. IUPAC: 4-[(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile.
Chemical Property Profile of 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
Property Insights of 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
The XLogP value of 2.79778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile. The TPSA of 74.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile has 1 hydrogen bond donor(s) and 3 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-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The CAS number of 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is 372174-85-1.
What is the molecular formula of 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The molecular formula of 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is C18H12N4O.
What is the molecular weight of 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The molecular weight of 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is 300.10 g/mol.
Where can I buy 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
You can request a quote for 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.