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CAS 22936-86-3 CYPRAZINE molecular structure lightbox
CAS RN: 22936-86-3

CYPRAZINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS22936-86-3
  • Purity/Analytical Methods: >99.0%
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22936-86-3 / 6-chloro-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

Standard CAS: 22936-86-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22936-86-3
Multi CAS
No
Molecular Formula
C9H14ClN5
Molecular Weight
227.690000
Exact Mass
227.093773
SMILES
CC(C)NC1=NC(=NC(=N1)NC2CC2)Cl
InChI
InChI=1S/C9H14ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKey
OOHIAOSLOGDBCE-UHFFFAOYSA-N

Physical Properties

Melting Point
167 °C
Density
1.24 G/CU CM
Physical Description
White odorless solid; [HSDB] White crystalline solid
Appearance
WHITE CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
60.24
TPSA
62.73

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.6
Consensus LogP
2.07
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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