Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-
TL;DR: Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- (CAS 72785-09-2) is a chemical compound with molecular formula C22H27N3 and molecular weight 333.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile
Also Known As: trans-4-[5-2-pyrimidinyl]benzonitrile, trans-4-(5-(4-Pentylcyclohexyl)-2-pyrimidinyl)benzonitrile, trans-4-[5- -2-pyrimidinyl]benzonitrile, Benzonitrile, 4-[5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl]-, Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-
| Molecular Formula | C22H27N3 |
|---|---|
| Molecular Weight | 333.22 g/mol |
| LogP | 5.86938 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.2205 |
| Heavy Atoms | 25 |
| Complexity | 689.54736 |
Chemical Identifiers
| CAS Number | 72785-09-2 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N |
Product Overview
Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- (CAS 72785-09-2), with molecular formula C22H27N3 and molecular weight 333.22 g/mol. IUPAC: 4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-
Property Insights of Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-
The XLogP value of 5.86938 indicates that Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-?
The CAS number of Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- is 72785-09-2.
What is the molecular formula of Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-?
The molecular formula of Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- is C22H27N3.
What is the molecular weight of Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-?
The molecular weight of Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- is 333.22 g/mol.
Where can I buy Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-?
You can request a quote for Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-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-pentylcyclohexyl)-2-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.