CAS RN: 67256-05-7

Dictysine

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Batchno.20251229 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS67256-05-7
  • Purity/Analytical Methods: >99.0%
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67256-05-7 / 12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,12-diol

Standard CAS: 67256-05-7 Multi CAS: Yes

Basic Information

CAS
67256-05-7
Multi CAS
Yes
Molecular Formula
C21H33NO3
Molecular Weight
347.500000
Exact Mass
347.246044
InChI
InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3
InChIKey
UZVALMFEKMFXEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
93.71
TPSA
63.93

LogP / Solubility

WLOGP
1.63
MLOGP
1.45
XLogP3
2
Consensus LogP
1.69
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
10

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