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CAS 49863-47-0 G418 molecular structure lightbox
CAS RN: 49863-47-0

G418

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS49863-47-0
  • Purity/Analytical Methods: >99.0%
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49863-47-0 / (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

Standard CAS: 49863-47-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49863-47-0
Multi CAS
Yes
Molecular Formula
C20H40N4O10
Molecular Weight
496.600000
Exact Mass
496.274443
InChI
InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1
InChIKey
BRZYSWJRSDMWLG-DJWUNRQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
10
Molar refractivity
115.87
TPSA
248.39

LogP / Solubility

WLOGP
-5.61
MLOGP
-4.9
XLogP3
-5.8
Consensus LogP
-5.44
Log S (ESOL)
1.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.05
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)
-9.73

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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