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CAS 50816-24-5 1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα-hydroxy-7α-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 50816-24-5

1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα-hydroxy-7α-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester

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6 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251215 10mg / 25mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
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Batchno.20260411 1ml In stock Inquiry
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Batchno.20250512 100mg In stock Shanghai Inquiry
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Batchno.20250602 25mg In stock Shanghai Inquiry
Batchno.20250719 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS50816-24-5
  • Purity/Analytical Methods: >99.0%
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50816-24-5 / methyl 4a-hydroxy-7-methyl-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Standard CAS: 50816-24-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50816-24-5
Multi CAS
Yes
Molecular Formula
C17H24O11
Molecular Weight
404.400000
Exact Mass
404.131862
InChI
InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1
InChIKey
PRZVXHGUJJPSME-CZMSZWGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.76
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
5
Molar refractivity
87.05
TPSA
172.21

LogP / Solubility

WLOGP
-2.83
MLOGP
-2.46
XLogP3
-1.7
Consensus LogP
-2.33
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
Class (SILICOS-IT)
Very 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)
-7.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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