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CAS 1755-15-3 2-Acetyl-5,5-dimethyl-1,3-cyclohexanedione molecular structure lightbox
CAS RN: 1755-15-3

2-Acetyl-5,5-dimethyl-1,3-cyclohexanedione

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 100g In stock Shanghai Inquiry
Batchno.20251117 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250810 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260603 25g In stock Shanghai Inquiry
Batchno.20250611 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-077003
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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: 5g
  • Available purity: ≥95%
  • 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 1755-15-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1755-15-3 / 2-acetyl-5,5-dimethylcyclohexane-1,3-dione

Standard CAS: 1755-15-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1755-15-3
Multi CAS
No
Molecular Formula
C10H14O3
Molecular Weight
182.220000
Exact Mass
182.094294
SMILES
CC(=O)C1C(=O)CC(CC1=O)(C)C
InChI
InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h9H,4-5H2,1-3H3
InChIKey
ITSKWKZDPHAQNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.2
TPSA
51.21

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
0.8
Consensus LogP
0.99
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.02

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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