![2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol structure](/static/products/896/896594-14-2.png)
2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol
TL;DR: 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol (CAS 896594-14-2) is a chemical compound with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[8-(2-methylpropyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]piperazin-1-yl]ethanol
Also Known As: 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol, 2-{4-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl]piperazin-1-yl}ethanol, REGID_for_CID_666032
| Molecular Formula | C23H31N5O2 |
|---|---|
| Molecular Weight | 409.25 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.24777 |
| Heavy Atoms | 30 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 896594-14-2 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(O2)C(=NC=N4)N5CCN(CC5)CCO |
| InChIKey | HGGMUJQISMOGSR-UHFFFAOYSA-N |
Product Overview
2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol (CAS 896594-14-2), with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol. IUPAC: 2-[4-[8-(2-methylpropyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]piperazin-1-yl]ethanol.
Chemical Property Profile of 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol
Property Insights of 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol
The XLogP value of 3.9 indicates that 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol. Following Lipinski's Rule of Five, 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol has 1 hydrogen bond donor(s) and 7 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 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol?
The CAS number of 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol is 896594-14-2.
What is the molecular formula of 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol?
The molecular formula of 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol is C23H31N5O2.
What is the molecular weight of 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol?
The molecular weight of 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol is 409.25 g/mol.
Where can I buy 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol?
You can request a quote for 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.