![Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- structure](/static/products/7278/72785-11-6.webp)
Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-
TL;DR: Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- (CAS 72785-11-6) is a chemical compound with molecular formula C19H21N3 and molecular weight 291.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]benzonitrile
Also Known As: trans-4-[5-2-pyrimidyl]benzonitrile, trans-4-[5- -2-pyrimidyl]benzonitrile, 4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]benzonitrile, Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-, J1.818.564D
| Molecular Formula | C19H21N3 |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.17355 |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 72785-11-6 |
|---|---|
| SMILES | CCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N |
| InChIKey | YAZXDRDFNUEKBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- (CAS 72785-11-6), with molecular formula C19H21N3 and molecular weight 291.17 g/mol. IUPAC: 4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-
Property Insights of Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-
The XLogP value of 4.9 indicates that Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- 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 Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-?
The CAS number of Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- is 72785-11-6.
What is the molecular formula of Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-?
The molecular formula of Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- is C19H21N3.
What is the molecular weight of Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-?
The molecular weight of Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- is 291.17 g/mol.
Where can I buy Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-?
You can request a quote for Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.