Neb3etq3ZE
TL;DR: Neb3etq3ZE (CAS 206201-12-9) is a chemical compound with molecular formula C26H29N3O3 and molecular weight 431.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11aR)-2-cyclopentyl-7-prop-2-enyl-8-(pyridin-2-ylmethoxy)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
Also Known As: GR 328713, (11aR)-2-Cyclopentyl-11,11a-dihydro-7-(2-propen-1-yl)-8-(2-pyridinylmethoxy)-2H-pyrazino(1,2-b)isoquinoline-1,4(3H,6H)-dione, 2-Cyclopentyl-11,11a-dihydro-7-(2-propen-1-yl)-8-(2-pyridinylmethoxy)-2H-pyrazino(1,2-b)isoquinoline-1,4(3H,6H)-dione , (11aR)-, 2H-Pyrazino(1,2-b)isoquinoline-1,4(3H,6H)-dione, 2-cyclopentyl-11,11a-dihydro-7-(2-propen-1-yl)-8-(2-pyridinylmethoxy)-, (11aR)-, 2H-Pyrazino(1,2-b)isoquinoline-1,4(3H,6H)-dione, 2-cyclopentyl-11,11a-dihydro-7-(2-propenyl)-8-(2-pyridinylmethoxy)-, (R)-
| Molecular Formula | C26H29N3O3 |
|---|---|
| Molecular Weight | 431.22 g/mol |
| LogP | 3.4272 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.2209 |
| Heavy Atoms | 32 |
| Complexity | 1030.1127 |
Chemical Identifiers
| CAS Number | 206201-12-9 |
|---|---|
| SMILES | C=CCC1=C(C=CC2=C1CN3[C@H](C2)C(=O)N(CC3=O)C4CCCC4)OCC5=CC=CC=N5 |
Product Overview
Neb3etq3ZE (CAS 206201-12-9), with molecular formula C26H29N3O3 and molecular weight 431.22 g/mol. IUPAC: (11aR)-2-cyclopentyl-7-prop-2-enyl-8-(pyridin-2-ylmethoxy)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione.
Chemical Property Profile of Neb3etq3ZE
Property Insights of Neb3etq3ZE
The XLogP value of 3.4272 indicates that Neb3etq3ZE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Neb3etq3ZE. Following Lipinski's Rule of Five, Neb3etq3ZE 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 Neb3etq3ZE?
The CAS number of Neb3etq3ZE is 206201-12-9.
What is the molecular formula of Neb3etq3ZE?
The molecular formula of Neb3etq3ZE is C26H29N3O3.
What is the molecular weight of Neb3etq3ZE?
The molecular weight of Neb3etq3ZE is 431.22 g/mol.
Where can I buy Neb3etq3ZE?
You can request a quote for Neb3etq3ZE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neb3etq3ZE?
Yes, KEHONG BIO provides custom synthesis services for Neb3etq3ZE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.