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CAS 361525-84-0 1,2-Benzenediol, 3,6-diiodo- molecular structure lightbox
CAS RN: 361525-84-0

1,2-Benzenediol, 3,6-diiodo-

  • Product code: SSC-143302
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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 361525-84-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

361525-84-0 / 3,6-diiodobenzene-1,2-diol

Standard CAS: 361525-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
361525-84-0
Multi CAS
No
Molecular Formula
C6H4I2O2
Molecular Weight
361.900000
Exact Mass
361.830070
InChI
InChI=1S/C6H4I2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
InChIKey
RHKXHMBCNZLCDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.21
TPSA
40.46

LogP / Solubility

WLOGP
2.31
MLOGP
2.05
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.93
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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