CAS RN: 500-42-5

L-Mimosine (leucenol)

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Batchno.20250713 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS500-42-5
  • Purity/Analytical Methods: >99.0%
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500-42-5 / 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

Standard CAS: 500-42-5 Multi CAS: Yes

Basic Information

CAS
500-42-5
Multi CAS
Yes
Molecular Formula
C9H8CLN5
Molecular Weight
221.640000
Exact Mass
221.046823
InChI
InChI=1S/C9H8ClN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKey
YRZQHIVOIFJEEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
58.97
TPSA
76.72

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
2.1
Consensus LogP
1.86
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

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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