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Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-
TL;DR: Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]- (CAS 116265-98-6) is a chemical compound with molecular formula C24H31N3 and molecular weight 361.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile
Also Known As: Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-, Benzonitrile, 4-[5-(4-heptylcyclohexyl)-2-pyrimidinyl]-, 4-[5-(4-Heptylcyclohexyl)-2-pyrimidinyl]benzonitrile, 4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile, trans-4-(5-(4-Heptylcyclohexyl)-2-pyrimidinyl)benzonitrile
| Molecular Formula | C24H31N3 |
|---|---|
| Molecular Weight | 361.25 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.2518 |
| Heavy Atoms | 27 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 116265-98-6 |
|---|---|
| SMILES | CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N |
| InChIKey | VJMNQADPCKONIA-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-heptylcyclohexyl)-2-pyrimidinyl]- (CAS 116265-98-6), with molecular formula C24H31N3 and molecular weight 361.25 g/mol. IUPAC: 4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-
Property Insights of Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-
The XLogP value of 7.6 indicates that Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-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-heptylcyclohexyl)-2-pyrimidinyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-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-heptylcyclohexyl)-2-pyrimidinyl]-?
The CAS number of Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]- is 116265-98-6.
What is the molecular formula of Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-?
The molecular formula of Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]- is C24H31N3.
What is the molecular weight of Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-?
The molecular weight of Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]- is 361.25 g/mol.
Where can I buy Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-?
You can request a quote for Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-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-heptylcyclohexyl)-2-pyrimidinyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.