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CAS 68592-22-3 (4-hydroxycyclohexyl) acetate molecular structure lightbox
CAS RN: 68592-22-3

(4-hydroxycyclohexyl) acetate

  • Product code: SSC-178322
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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
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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 68592-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

68592-22-3 / (4-hydroxycyclohexyl) acetate

Standard CAS: 68592-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68592-22-3
Multi CAS
Yes
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
InChI
InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChIKey
ALTAAUJNHYWOGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.03
TPSA
46.53

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.47
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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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