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CAS 57794-08-8 (1S,2S)-trans-1,2-Cyclohexanediol molecular structure lightbox
CAS RN: 57794-08-8

(1S,2S)-trans-1,2-Cyclohexanediol

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 250mg In stock Shanghai, Shandong Inquiry
Batchno.20251230 50mg In stock Shanghai Inquiry
  • Product code: LINS928934
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57794-08-8 / trans-(1S,2S)-cyclohexane-1,2-diol

Standard CAS: 57794-08-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57794-08-8
Multi CAS
Yes
Molecular Formula
C6H12O2
Molecular Weight
116.160000
Exact Mass
116.083730
InChI
InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKey
PFURGBBHAOXLIO-WDSKDSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.48
TPSA
40.46

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
XLogP3
0.2
Consensus LogP
0.24
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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