[email protected]
CAS 1728-46-7 2-TERT-BUTYLCYCLOHEXANONE molecular structure lightbox
CAS RN: 1728-46-7

2-TERT-BUTYLCYCLOHEXANONE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 100g In stock Shanghai Inquiry
Batchno.20260528 10g In stock Shanghai Inquiry
Batchno.20250918 1g In stock Shanghai Inquiry
Batchno.20250815 25g In stock Shanghai Inquiry
Batchno.20250826 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-075911
GET A QUOTE
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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1728-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1728-46-7 / 2-tert-butylcyclohexan-1-one

Standard CAS: 1728-46-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1728-46-7
Multi CAS
No
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
CC(C)(C)C1CCCCC1=O
InChI
InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3
InChIKey
ZRYDPLOWJSFQAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.42
TPSA
17.07

LogP / Solubility

WLOGP
2.79
MLOGP
2.45
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-1.68

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 121 of 122 companies (only 0.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us