[email protected]
CAS 89239-35-0 1H-Imidazo(1,2-c)pyrazolo(3,4-e)pyrimidine, 8-ethyl-7,8-dihydro-1,3,5- trimethyl- molecular structure lightbox
CAS RN: 89239-35-0

1H-Imidazo(1,2-c)pyrazolo(3,4-e)pyrimidine, 8-ethyl-7,8-dihydro-1,3,5- trimethyl-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS89239-35-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

89239-35-0 / 11-ethyl-3,5,8-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene

Standard CAS: 89239-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89239-35-0
Multi CAS
No
Molecular Formula
C12H17N5
Molecular Weight
231.300000
Exact Mass
231.148396
InChI
InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3
InChIKey
YFAVYALYCRERKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
68.04
TPSA
45.78

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
0.5
Consensus LogP
1.19
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us