[email protected]
CAS 591-24-2 3-Methylcyclohexanone molecular structure lightbox
CAS RN: 591-24-2

3-Methylcyclohexanone

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100ml In stock Inquiry
Batchno.20250727 25ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 100ml In stock Shandong Inquiry
Batchno.20260329 10g Out of stock Inquiry
Batchno.20250918 25g Out of stock Inquiry
Batchno.20251201 25ml In stock Chongqing, Hebei Inquiry
  • Product code: ICTM0198
  • Purity/Analytical Methods: >97.0%(GC)
GET A QUOTE

591-24-2 / 3-methylcyclohexan-1-one

Standard CAS: 591-24-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
591-24-2
Multi CAS
Yes
Molecular Formula
C7H12O
Molecular Weight
112.170000
Exact Mass
112.088815
InChI
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey
UJBOOUHRTQVGRU-UHFFFAOYSA-N

Physical Properties

Melting Point
-73.5 °C
Density
0.914-0.919
Physical Description
Clear colorless to very faintly yellow liquid; Liquid Colourless liquid; camphoraceous odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.86
H-bond acceptors
1
Molar refractivity
32.64
TPSA
17.07

LogP / Solubility

WLOGP
1.77
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us