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CAS 882687-80-1 4-Iodo-2,2-dimethyl-tetrahydro-pyran molecular structure lightbox
CAS RN: 882687-80-1

4-Iodo-2,2-dimethyl-tetrahydro-pyran

  • Product code: SSC-198817
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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, 25g, 100g
  • Available purity: >97%
  • 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 882687-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 2 In Stock Hong Kong Inquiry
100g >97% 1 In Stock Hong Kong Inquiry

882687-80-1 / 4-iodo-2,2-dimethyloxane

Standard CAS: 882687-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
882687-80-1
Multi CAS
No
Molecular Formula
C7H13IO
Molecular Weight
240.080000
Exact Mass
240.001110
InChI
InChI=1S/C7H13IO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5H2,1-2H3
InChIKey
CTPMPYIKWARWDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
47.07
TPSA
9.23

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
2.2
Consensus LogP
2.23
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.5

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
2

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