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CAS 82509-41-9 8-EPILOGANIC ACID molecular structure lightbox
CAS RN: 82509-41-9

8-EPILOGANIC ACID

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260207 5mg / 10mg Out of stock 15 business days Inquiry
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Batchno.20260526 10mg In stock Shanghai Inquiry
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Batchno.20251222 5mg Out of stock Inquiry
  • Product code: starshine_CAS82509-41-9
  • Purity/Analytical Methods: >99.0%
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82509-41-9 / (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

Standard CAS: 82509-41-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82509-41-9
Multi CAS
Yes
Molecular Formula
C16H24O10
Molecular Weight
376.360000
Exact Mass
376.136947
InChI
InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey
JNNGEAWILNVFFD-OZFVSFPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.81
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
6
Molar refractivity
82.21
TPSA
166.14

LogP / Solubility

WLOGP
-2.24
MLOGP
-1.95
XLogP3
-1.7
Consensus LogP
-1.96
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very 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)
-6.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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