3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-
TL;DR: 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- (CAS 72928-01-9) is a chemical compound with molecular formula C13H19N and molecular weight 189.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-(3-methylbut-2-enyl)cyclohex-3-ene-1-carbonitrile
Also Known As: 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-butenyl)-, 4-Methyl-5-(3-methyl-2-butenyl)-3-cyclohexene-1-carbonitrile, 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-, 4-Methyl-5-(3-methylbuten-2-yl)cyclohex-3-ene-1-carbonitrile, 4-METHYL-5-(3-METHYLBUT-2-EN-1-YL)CYCLOHEX-3-ENE-1-CARBONITRILE
| Molecular Formula | C13H19N |
|---|---|
| Molecular Weight | 189.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.15175 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 72928-01-9 |
|---|---|
| SMILES | CC1=CCC(CC1CC=C(C)C)C#N |
| InChIKey | DOAJNMLFKJDTEV-UHFFFAOYSA-N |
Product Overview
3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- (CAS 72928-01-9), with molecular formula C13H19N and molecular weight 189.15 g/mol. IUPAC: 4-methyl-5-(3-methylbut-2-enyl)cyclohex-3-ene-1-carbonitrile.
Chemical Property Profile of 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-
Property Insights of 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-
The XLogP value of 3.1 indicates that 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- has 0 hydrogen bond donor(s) and 1 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 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-?
The CAS number of 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- is 72928-01-9.
What is the molecular formula of 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-?
The molecular formula of 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- is C13H19N.
What is the molecular weight of 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-?
The molecular weight of 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- is 189.15 g/mol.
Where can I buy 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-?
You can request a quote for 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carbonitrile, 4-methyl-5-(3-methyl-2-buten-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.