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CAS 551-72-4 1L-chiro-Inositol molecular structure lightbox
CAS RN: 551-72-4

1L-chiro-Inositol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTI0633
  • Purity/Analytical Methods: >98.0%(HPLC)
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551-72-4 / cyclohexane-1,2,3,4,5,6-hexol

Standard CAS: 551-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
551-72-4
Multi CAS
No
Molecular Formula
C6H12O6
Molecular Weight
180.160000
Exact Mass
180.063388
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKey
CDAISMWEOUEBRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
6
H-bond donors
6
Molar refractivity
36.04
TPSA
121.38

LogP / Solubility

WLOGP
-3.83
MLOGP
-3.38
XLogP3
-3.7
Consensus LogP
-3.64
Log S (ESOL)
1.46
Class (ESOL)
Highly soluble
Log S (Ali)
1.73
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.35
Class (SILICOS-IT)
Highly 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)
-6.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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