[email protected]
CAS 1033739-92-2 GNE-490 molecular structure lightbox
CAS RN: 1033739-92-2

GNE-490

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260103 100mg In stock Inquiry
Batchno.20250512 10mg In stock Inquiry
Batchno.20250715 1mg In stock Inquiry
Batchno.20250318 25mg In stock Inquiry
Batchno.20250717 50mg In stock Inquiry
Batchno.20251206 5mg In stock Inquiry
  • Product code: starshine_CAS1033739-92-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1033739-92-2 / 2-[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

GNE-490 | 2-(2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol | MFCD18251527

Standard CAS: 1033739-92-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1033739-92-2
Multi CAS
Yes
Molecular Formula
C18H22N6O2S
Molecular Weight
386.500000
Exact Mass
386.152495
SMILES
CC1=NC(=NC=C1C2=NC3=C(C(=N2)N4CCOCC4)SC(=C3)C(C)(C)O)N
InChI
InChI=1S/C18H22N6O2S/c1-10-11(9-20-17(19)21-10)15-22-12-8-13(18(2,3)25)27-14(12)16(23-15)24-4-6-26-7-5-24/h8-9,25H,4-7H2,1-3H3,(H2,19,20,21)
InChIKey
SFWTVVNNVHWDEE-UHFFFAOYSA-N
Synonyms
GNE-490 2-(2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol MFCD18251527 CHEMBL1085178 2-[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
2
Molar refractivity
105.87
TPSA
110.28

LogP / Solubility

WLOGP
2.1
MLOGP
1.87
XLogP3
1.1
Consensus LogP
1.69
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us