![4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile structure](/static/products/372/372153-41-8.png)
4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
TL;DR: 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile (CAS 372153-41-8) is a chemical compound with molecular formula C19H14N4O2 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile
Also Known As: 4-[(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile, 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile, 4-[(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile
| Molecular Formula | C19H14N4O2 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 2.80638 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.11166 |
| Heavy Atoms | 25 |
| Complexity | 1180.4613 |
Chemical Identifiers
| CAS Number | 372153-41-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4=CC=C(C=C4)C#N |
Product Overview
4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile (CAS 372153-41-8), with molecular formula C19H14N4O2 and molecular weight 330.11 g/mol. IUPAC: 4-[(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile.
Chemical Property Profile of 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
Property Insights of 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile
The XLogP value of 2.80638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile has 1 hydrogen bond donor(s) and 4 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-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The CAS number of 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is 372153-41-8.
What is the molecular formula of 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The molecular formula of 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is C19H14N4O2.
What is the molecular weight of 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
The molecular weight of 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile is 330.11 g/mol.
Where can I buy 4-((8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methyl)benzonitrile?
You can request a quote for 4-((8-methoxy-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-methoxy-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-methoxy-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.