2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile
TL;DR: 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile (CAS 879045-39-3) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile
Also Known As: ASN 14594355, 2-(3-cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile, (3-Cyclohexyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl)-acetonitrile, (3-cyclohexyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetonitrile, 2-(3-cyclohexyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetonitrile
| Molecular Formula | C16H17N3O2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 2.19198 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.13208 |
| Heavy Atoms | 21 |
| Complexity | 820.0017 |
Chemical Identifiers
| CAS Number | 879045-39-3 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C3=CC=CC=C3N(C2=O)CC#N |
Product Overview
2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile (CAS 879045-39-3), with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol. IUPAC: 2-(3-cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile.
Chemical Property Profile of 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile
Property Insights of 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile
The XLogP value of 2.19198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile has 0 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 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile?
The CAS number of 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile is 879045-39-3.
What is the molecular formula of 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile?
The molecular formula of 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile is C16H17N3O2.
What is the molecular weight of 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile?
The molecular weight of 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile is 283.13 g/mol.
Where can I buy 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile?
You can request a quote for 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Cyclohexyl-2,4-dioxoquinazolin-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.