5-Methyl-2-butylcyclopent-2-en-1-on
TL;DR: 5-Methyl-2-butylcyclopent-2-en-1-on (CAS 152630-47-2) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexane-1-carbonitrile
Also Known As: 5-Methyl-2-butylcyclopent-2-en-1-on, EC 427-450-4, 1-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)-4-OXOCYCLOHEXANECARBONITRILE, 1-[3-(cyclopentyloxy)-4-methoxyphenyl]-4-oxocyclohexane-1-carbonitrile, Cyclohexanecarbonitrile,1-[3-(cyclopentyloxy)-4-methoxyphenyl]-4-oxo-
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.92108 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 615.9922 |
Chemical Identifiers
| CAS Number | 152630-47-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCC(=O)CC2)C#N)OC3CCCC3 |
Product Overview
5-Methyl-2-butylcyclopent-2-en-1-on (CAS 152630-47-2), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexane-1-carbonitrile.
Chemical Property Profile of 5-Methyl-2-butylcyclopent-2-en-1-on
Property Insights of 5-Methyl-2-butylcyclopent-2-en-1-on
The XLogP value of 3.92108 indicates that 5-Methyl-2-butylcyclopent-2-en-1-on is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 5-Methyl-2-butylcyclopent-2-en-1-on exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-butylcyclopent-2-en-1-on has 0 hydrogen bond donor(s) and 4 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 5-Methyl-2-butylcyclopent-2-en-1-on?
The CAS number of 5-Methyl-2-butylcyclopent-2-en-1-on is 152630-47-2.
What is the molecular formula of 5-Methyl-2-butylcyclopent-2-en-1-on?
The molecular formula of 5-Methyl-2-butylcyclopent-2-en-1-on is C19H23NO3.
What is the molecular weight of 5-Methyl-2-butylcyclopent-2-en-1-on?
The molecular weight of 5-Methyl-2-butylcyclopent-2-en-1-on is 313.17 g/mol.
Where can I buy 5-Methyl-2-butylcyclopent-2-en-1-on?
You can request a quote for 5-Methyl-2-butylcyclopent-2-en-1-on directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-butylcyclopent-2-en-1-on?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-butylcyclopent-2-en-1-on and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.