CAS RN: 576-44-3

KANOSAMINE, HYDROCHLORIDE

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Batchno.20250904 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS576-44-3
  • Purity/Analytical Methods: >99.0%
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576-44-3 / (2R,3S,4S,5R)-3-amino-2,4,5,6-tetrahydroxyhexanal

Standard CAS: 576-44-3 Multi CAS: Yes

Basic Information

CAS
576-44-3
Multi CAS
Yes
Molecular Formula
C6H13NO5
Molecular Weight
179.170000
Exact Mass
179.079373
InChI
InChI=1S/C6H13NO5/c7-5(3(10)1-8)6(12)4(11)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6+/m0/s1
InChIKey
FOEXHEVNPRRHDY-SLPGGIOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
5
Molar refractivity
39.15
TPSA
124.01

LogP / Solubility

WLOGP
-3.41
MLOGP
-3.01
XLogP3
-3.7
Consensus LogP
-3.37
Log S (ESOL)
1.53
Class (ESOL)
Highly soluble
Log S (Ali)
1.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.41
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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