![4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile structure](/static/products/372/372173-61-0.png)
4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
TL;DR: 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile (CAS 372173-61-0) is a chemical compound with molecular formula C19H14N4O and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile
Also Known As: 4-[(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile, 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile, 4-[(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile
| Molecular Formula | C19H14N4O |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.1062 |
| Topological Polar Surface Area | 74.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.11676 |
| Heavy Atoms | 24 |
| Complexity | 1160.3751 |
Chemical Identifiers
| CAS Number | 372173-61-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4=CC=C(C=C4)C#N |
Product Overview
4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile (CAS 372173-61-0), with molecular formula C19H14N4O and molecular weight 314.12 g/mol. IUPAC: 4-[(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile.
Chemical Property Profile of 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
Property Insights of 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
The XLogP value of 3.1062 indicates that 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-((8-methyl-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-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The CAS number of 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is 372173-61-0.
What is the molecular formula of 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The molecular formula of 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is C19H14N4O.
What is the molecular weight of 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The molecular weight of 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is 314.12 g/mol.
Where can I buy 4-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
You can request a quote for 4-((8-methyl-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-((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((8-methyl-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.