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CAS 115666-46-1 6-IODO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE molecular structure lightbox
CAS RN: 115666-46-1

6-IODO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 1g In stock Shanghai Inquiry
Batchno.20260327 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250513 5g In stock Shenzhen Inquiry
  • Product code: SSC-015454
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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 115666-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

115666-46-1 / 6-iodo-2,3-dihydro-1H-indole

6-Iodoindoline | RefChem:543474 | 813-457-3

Standard CAS: 115666-46-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115666-46-1
Multi CAS
Yes
Molecular Formula
C8H8IN
Molecular Weight
245.060000
Exact Mass
244.970150
SMILES
C1CNC2=C1C=CC(=C2)I
InChI
InChI=1S/C8H8IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
InChIKey
KGCBZEKELZUOFI-UHFFFAOYSA-N
Synonyms
6-Iodoindoline RefChem:543474 813-457-3 6-iodo-2,3-dihydro-1H-indole 1H-Indole, 2,3-dihydro-6-iodo-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.35
TPSA
12.03

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.6
Consensus LogP
2.28
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.61

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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