[email protected]
CAS 1255147-44-4 6-(Chloromethyl)-N,1-dimethyl-1H-pyrazolo[3,4-d]-pyrimidin-4-amine molecular structure lightbox
CAS RN: 1255147-44-4

6-(Chloromethyl)-N,1-dimethyl-1H-pyrazolo[3,4-d]-pyrimidin-4-amine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1255147-44-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1255147-44-4 / 6-(chloromethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

Standard CAS: 1255147-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1255147-44-4
Multi CAS
No
Molecular Formula
C8H10ClN5
Molecular Weight
211.650000
Exact Mass
211.062473
SMILES
CNC1=C2C=NN(C2=NC(=N1)CCl)C
InChI
InChI=1S/C8H10ClN5/c1-10-7-5-4-11-14(2)8(5)13-6(3-9)12-7/h4H,3H2,1-2H3,(H,10,12,13)
InChIKey
BOSRHAZBAVIABA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.41
TPSA
55.63

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
0.9
Consensus LogP
1.02
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us