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CAS 37517-28-5 AMIKACIN molecular structure lightbox
CAS RN: 37517-28-5

AMIKACIN

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Batchno.20260115 50mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS37517-28-5
  • Purity/Analytical Methods: >99.0%
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37517-28-5 / 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

Standard CAS: 37517-28-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37517-28-5
Multi CAS
Yes
Molecular Formula
C22H43N5O13
Molecular Weight
585.600000
Exact Mass
585.285736
InChI
InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
InChIKey
LKCWBDHBTVXHDL-RMDFUYIESA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.95
Rotatable bonds
10
H-bond acceptors
17
H-bond donors
13
Molar refractivity
131.43
TPSA
331.94

LogP / Solubility

WLOGP
-8.42
MLOGP
-7.37
XLogP3
-7.9
Consensus LogP
-7.9
Log S (ESOL)
2.5
Class (ESOL)
Highly soluble
Log S (Ali)
1.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.33
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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