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CAS 5469-33-0 (IODOMETHYL)CYCLOHEXANE molecular structure lightbox
CAS RN: 5469-33-0

(IODOMETHYL)CYCLOHEXANE

  • Product code: SSC-162499
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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, 5g, 10g, 0.25g, 0.1g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 5469-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
10g >97% 3 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Hong Kong Inquiry

5469-33-0 / iodomethylcyclohexane

Standard CAS: 5469-33-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5469-33-0
Multi CAS
Yes
Molecular Formula
C7H13I
Molecular Weight
224.080000
Exact Mass
224.006200
InChI
InChI=1S/C7H13I/c8-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
CXHHAWACKSPTFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
45.46
TPSA
0.0000

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
4.3
Consensus LogP
3.31
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-1.96

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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