[email protected]
CAS 17289-49-5 tetridamine molecular structure lightbox
CAS RN: 17289-49-5

tetridamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260514 1mg Out of stock Inquiry
  • Product code: starshine_CAS17289-49-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17289-49-5 / N,2-dimethyl-4,5,6,7-tetrahydroindazol-3-amine

Standard CAS: 17289-49-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17289-49-5
Multi CAS
No
Molecular Formula
C9H15N3
Molecular Weight
165.240000
Exact Mass
165.126597
SMILES
CNC1=C2CCCCC2=NN1C
InChI
InChI=1S/C9H15N3/c1-10-9-7-5-3-4-6-8(7)11-12(9)2/h10H,3-6H2,1-2H3
InChIKey
NKDJNEGDJVXHKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.4
TPSA
29.85

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.8
Consensus LogP
1.44
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us