CAS RN: 14894-18-9

DL-DIHYDROZEATIN

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS14894-18-9
  • Purity/Analytical Methods: >99.0%
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14894-18-9 / 2-methyl-4-(7H-purin-6-ylamino)butan-1-ol

Standard CAS: 14894-18-9 Multi CAS: No

Basic Information

CAS
14894-18-9
Multi CAS
No
Molecular Formula
C10H15N5O
Molecular Weight
221.260000
Exact Mass
221.127660
SMILES
CC(CCNC1=NC=NC2=C1NC=N2)CO
InChI
InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKey
XXFACTAYGKKOQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
61.04
TPSA
86.72

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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