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CAS 642088-17-3 3-hydroxy-2-iodocyclohex-2-en-1-one molecular structure lightbox
CAS RN: 642088-17-3

3-hydroxy-2-iodocyclohex-2-en-1-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-173975
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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: 1g
  • Available purity: ≥95%
  • 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 642088-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

642088-17-3 / 2-iodocyclohexane-1,3-dione

Standard CAS: 642088-17-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
642088-17-3
Multi CAS
Yes
Molecular Formula
C6H7IO2
Molecular Weight
238.020000
Exact Mass
237.949080
InChI
InChI=1S/C6H7IO2/c7-6-4(8)2-1-3-5(6)9/h8H,1-3H2
InChIKey
FEFGOJAUQXBSDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
41.67
TPSA
34.14

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.8
Consensus LogP
0.96
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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