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CAS 697-89-2 2,6-DICHLORO-4-IODOANILINE molecular structure lightbox
CAS RN: 697-89-2

2,6-DICHLORO-4-IODOANILINE

  • Product code: SSC-179429
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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 697-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

697-89-2 / 2,6-dichloro-4-iodoaniline

Standard CAS: 697-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
697-89-2
Multi CAS
No
Molecular Formula
C6H4CL2IN
Molecular Weight
287.910000
Exact Mass
286.876550
InChI
InChI=1S/C6H4Cl2IN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
InChIKey
IVCYDUGLECLFHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.59
TPSA
26.02

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.1
Consensus LogP
3.03
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

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

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