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[1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-
TL;DR: [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- (CAS 65355-35-3) is a chemical compound with molecular formula C16H27N and molecular weight 233.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
Also Known As: Amrioclomol, TimTec1_008107, [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-, 4-propyl-4'-cyanobicyclohexane, 4'-Propyl-bicyclohexyl-4-carbonitrile
| Molecular Formula | C16H27N |
|---|---|
| Molecular Weight | 233.21 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.21436 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 65355-35-3 |
|---|---|
| SMILES | CCCC1CCC(CC1)C2CCC(CC2)C#N |
| InChIKey | GPKWICXATIXXQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- (CAS 65355-35-3), with molecular formula C16H27N and molecular weight 233.21 g/mol. IUPAC: 4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-
Property Insights of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-
The XLogP value of 5.9 indicates that [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-?
The CAS number of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- is 65355-35-3.
What is the molecular formula of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-?
The molecular formula of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- is C16H27N.
What is the molecular weight of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-?
The molecular weight of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- is 233.21 g/mol.
Where can I buy [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-?
You can request a quote for [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.