[email protected]
CAS 123214-39-1 4-hydroxy-2,2-diMethylcyclohexanone molecular structure lightbox
CAS RN: 123214-39-1

4-hydroxy-2,2-diMethylcyclohexanone

  • Product code: SSC-026853
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 123214-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g -- 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g -- 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

123214-39-1 / 4-hydroxy-2,2-dimethylcyclohexan-1-one

Standard CAS: 123214-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123214-39-1
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
SMILES
CC1(CC(CCC1=O)O)C
InChI
InChI=1S/C8H14O2/c1-8(2)5-6(9)3-4-7(8)10/h6,9H,3-5H2,1-2H3
InChIKey
WJMNRGQKIFUQAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.65
TPSA
37.3

LogP / Solubility

WLOGP
1.13
MLOGP
0.98
XLogP3
0.7
Consensus LogP
0.94
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-2.79

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us