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CAS 22255-40-9 LOGANIC ACID molecular structure lightbox
CAS RN: 22255-40-9

LOGANIC ACID

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251012 100mg In stock Shanghai Inquiry
Batchno.20251229 1g Out of stock Inquiry
Batchno.20260502 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 100mg In stock Shanghai, Guangdong Inquiry
Batchno.20250709 20mg In stock Chongqing Inquiry
  • Product code: starshine_CAS22255-40-9
  • Purity/Analytical Methods: >99.0%
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22255-40-9 / (1S,4aS,6S,7R,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: 22255-40-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22255-40-9
Multi CAS
No
Molecular Formula
C16H24O10
Molecular Weight
376.360000
Exact Mass
376.136947
SMILES
C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
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-/m0/s1
InChIKey
JNNGEAWILNVFFD-CDJYTOATSA-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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