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CAS 6957-08-0 1-(m-Tolyl)cyclohexanol molecular structure lightbox
CAS RN: 6957-08-0

1-(m-Tolyl)cyclohexanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6957-08-0
  • Purity/Analytical Methods: >99.0%
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6957-08-0 / 1-(3-methylphenyl)cyclohexan-1-ol

Standard CAS: 6957-08-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6957-08-0
Multi CAS
Yes
Molecular Formula
C13H18O
Molecular Weight
190.280000
Exact Mass
190.135765
InChI
InChI=1S/C13H18O/c1-11-6-5-7-12(10-11)13(14)8-3-2-4-9-13/h5-7,10,14H,2-4,8-9H2,1H3
InChIKey
BUMLNDUUDOQELU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.16
TPSA
20.23

LogP / Solubility

WLOGP
3.15
MLOGP
2.77
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-1.65

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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