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CAS 6975-91-3 CYCLOHEXYL 2-CHLOROACETATE molecular structure lightbox
CAS RN: 6975-91-3

CYCLOHEXYL 2-CHLOROACETATE

  • Product code: SSC-179505
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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: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 6975-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry

6975-91-3 / cyclohexyl 2-chloroacetate

Standard CAS: 6975-91-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6975-91-3
Multi CAS
Yes
Molecular Formula
C8H13CLO2
Molecular Weight
176.640000
Exact Mass
176.060407
InChI
InChI=1S/C8H13ClO2/c9-6-8(10)11-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
IBFHBLOKQVCABG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.69
TPSA
26.3

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.5
Consensus LogP
2.15
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.31

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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