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CAS 17616-44-3 1,3-Diiodo-2-Methylpropane molecular structure lightbox
CAS RN: 17616-44-3

1,3-Diiodo-2-Methylpropane

  • Product code: SSC-077196
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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, 5g, 1g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 12
  • 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 17616-44-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
5g -- 4 In Stock Shanghai Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
1g -- 3 In Stock Shanghai Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
10g -- 3 In Stock Hong Kong Inquiry
10g ≥95% 3 In Stock Shanghai Inquiry
25g -- 1 In Stock Beijing Inquiry
25g ≥95% 1 In Stock Shanghai Inquiry

17616-44-3 / 1,3-diiodo-2-methylpropane

Standard CAS: 17616-44-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17616-44-3
Multi CAS
No
Molecular Formula
C4H8I2
Molecular Weight
309.920000
Exact Mass
309.871550
SMILES
CC(CI)CI
InChI
InChI=1S/C4H8I2/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKey
NYJFWRSAFZAQPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
46.94
TPSA
0.0000

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
3.6
Consensus LogP
2.77
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P302+P352, P305+P351+P338, P317, P321, P337+P317, P362+P364, and P501

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