![2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione structure](/static/products/102/1024591-49-8.png)
2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
TL;DR: 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CAS 1024591-49-8) is a chemical compound with molecular formula C27H30ClN3O3 and molecular weight 479.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-butoxypropyl)-2-(4-chlorophenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione, 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
| Molecular Formula | C27H30ClN3O3 |
|---|---|
| Molecular Weight | 479.20 g/mol |
| LogP | 4.713 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.19757 |
| Heavy Atoms | 34 |
| Complexity | 1189.5533 |
Chemical Identifiers
| CAS Number | 1024591-49-8 |
|---|---|
| SMILES | CCCCOCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC=C(C=C4)Cl)NC5=CC=CC=C35 |
Product Overview
2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CAS 1024591-49-8), with molecular formula C27H30ClN3O3 and molecular weight 479.20 g/mol. IUPAC: 6-(3-butoxypropyl)-2-(4-chlorophenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.
Chemical Property Profile of 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Property Insights of 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
The XLogP value of 4.713 indicates that 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione. Following Lipinski's Rule of Five, 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione has 1 hydrogen bond donor(s) and 3 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-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The CAS number of 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 1024591-49-8.
What is the molecular formula of 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The molecular formula of 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is C27H30ClN3O3.
What is the molecular weight of 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The molecular weight of 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 479.20 g/mol.
Where can I buy 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
You can request a quote for 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-butoxypropyl)-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.