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CAS 16618-75-0 4-Heptylcyclohexanone molecular structure lightbox
CAS RN: 16618-75-0

4-Heptylcyclohexanone

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260411 5g / 25g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250915 100g In stock Inquiry
Batchno.20260327 25g In stock Inquiry
Batchno.20260305 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251127 100g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250108 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260503 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260227 500g Out of stock Inquiry
Batchno.20260625 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-072545
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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: 25g
  • 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 16618-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

16618-75-0 / 4-heptylcyclohexan-1-one

Standard CAS: 16618-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16618-75-0
Multi CAS
No
Molecular Formula
C13H24O
Molecular Weight
196.330000
Exact Mass
196.182715
SMILES
CCCCCCCC1CCC(=O)CC1
InChI
InChI=1S/C13H24O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h12H,2-11H2,1H3
InChIKey
QWHCPRHASHNSDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
60.34
TPSA
17.07

LogP / Solubility

WLOGP
4.11
MLOGP
3.61
XLogP3
4.4
Consensus LogP
4.04
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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