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CAS 40649-36-3 4-Propylcyclohexanone molecular structure lightbox
CAS RN: 40649-36-3

4-Propylcyclohexanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-148959
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5ml, 10ml, 25ml, 100ml
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 40649-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml >97% 0 Out of Stock Shanghai Inquiry
10ml >97% 0 Out of Stock Hong Kong Inquiry
25ml >97% 0 Out of Stock Beijing Inquiry
100ml >97% 0 Out of Stock Shenzhen Inquiry

40649-36-3 / 4-propylcyclohexan-1-one

Standard CAS: 40649-36-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
40649-36-3
Multi CAS
No
Molecular Formula
C9H16O
Molecular Weight
140.220000
Exact Mass
140.120115
InChI
InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
InChIKey
NQEDLIZOPMNZMC-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
41.87
TPSA
17.07

LogP / Solubility

WLOGP
2.55
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-1.77

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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