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CAS 562-13-0 2,2-Dimethylcyclohexane-1,3-dione molecular structure lightbox
CAS RN: 562-13-0

2,2-Dimethylcyclohexane-1,3-dione

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260214 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251122 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260410 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250322 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260130 500g Out of stock Inquiry
Batchno.20250316 5g In stock Shanghai Inquiry
  • Product code: SSC-164180
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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: ＞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 562-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

562-13-0 / 2,2-dimethylcyclohexane-1,3-dione

Standard CAS: 562-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
562-13-0
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
InChI
InChI=1S/C8H12O2/c1-8(2)6(9)4-3-5-7(8)10/h3-5H2,1-2H3
InChIKey
AOPBDTHQAIWWMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
37.65
TPSA
34.14

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.63

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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