[email protected]
CAS 1199590-75-4 GNE 220 molecular structure lightbox
CAS RN: 1199590-75-4

GNE 220

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1199590-75-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1199590-75-4 / 6-methyl-12-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrazol-4-yl)-3,5,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

GNE 220 | MAP02 | orb1709568

Standard CAS: 1199590-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1199590-75-4
Multi CAS
No
Molecular Formula
C25H26N8
Molecular Weight
438.500000
Exact Mass
438.228043
SMILES
CC1=C2C(=NC(=N1)C3=CN(N=C3)C)C4=C(N2)N=CC(=C4)C5=CC=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C25H26N8/c1-16-22-23(30-24(28-16)19-14-27-32(3)15-19)21-12-18(13-26-25(21)29-22)17-4-6-20(7-5-17)33-10-8-31(2)9-11-33/h4-7,12-15H,8-11H2,1-3H3,(H,26,29)
InChIKey
HXIPOURWZRATPT-UHFFFAOYSA-N
Synonyms
GNE 220 MAP02 orb1709568 SCHEMBL1894279 SCHEMBL29508227

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
131.27
TPSA
78.76

LogP / Solubility

WLOGP
3.63
MLOGP
3.23
XLogP3
3
Consensus LogP
3.29
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us