![CAS 1000341-55-8 6-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000341-55-8.gif)
CAS RN: 1000341-55-8
6-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260518 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-000133
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, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1000341-55-8 / 6-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
4-Chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine | 869335-73-9 | DTXSID10468450
Basic Information
CAS
1000341-55-8
Multi CAS
Yes
Molecular Formula
C7H4ClIN2
Molecular Weight
278.480000
Exact Mass
277.910770
SMILES
C1=C2C(=CN=C1Cl)C(=CN2)I
InChI
InChI=1S/C7H4ClIN2/c8-7-1-6-4(2-11-7)5(9)3-10-6/h1-3,10H
InChIKey
OFYFYASYSPIQPM-UHFFFAOYSA-N
Synonyms
4-Chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine
869335-73-9
DTXSID10468450
4-Chloro-3-iodo-1H-pyrrolo(2,3-b)pyridine
RefChem:291653
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.82
TPSA
28.68
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
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
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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