![3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile structure](/static/products/799/799799-70-5.png)
3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
TL;DR: 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 799799-70-5) is a chemical compound with molecular formula C28H36N4O2 and molecular weight 460.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-butoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-[4-(4-butoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-{4-[(4-butoxyphenyl)carbonyl]piperazin-1-yl}-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C28H36N4O2 |
|---|---|
| Molecular Weight | 460.28 g/mol |
| LogP | 4.78178 |
| Topological Polar Surface Area | 69.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.2838 |
| Heavy Atoms | 34 |
| Complexity | 1047.5563 |
Chemical Identifiers
| CAS Number | 799799-70-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C4=C(CCC4)C(=N3)CC(C)C)C#N |
Product Overview
3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 799799-70-5), with molecular formula C28H36N4O2 and molecular weight 460.28 g/mol. IUPAC: 3-[4-(4-butoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Property Insights of 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
The XLogP value of 4.78178 indicates that 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile. Following Lipinski's Rule of Five, 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The CAS number of 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is 799799-70-5.
What is the molecular formula of 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The molecular formula of 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is C28H36N4O2.
What is the molecular weight of 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The molecular weight of 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is 460.28 g/mol.
Where can I buy 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
You can request a quote for 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-butoxybenzoyl)piperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.