CAS RN: 1192-79-6
5-METHYL-1H-PYRROLE-2-CARBALDEHYDE
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.20250411 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-019690
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, 10g
- Available purity: >95%
- Inventory rows with stock: 2
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 10g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1192-79-6 / 5-methyl-1H-pyrrole-2-carbaldehyde
5-Methyl-1H-pyrrole-2-carbaldehyde | 5-METHYL-2-FORMYLPYRROLE | SP16VW48RI
Basic Information
CAS
1192-79-6
Multi CAS
No
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
SMILES
CC1=CC=C(N1)C=O
InChI
InChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
InChIKey
LFWLUDLUCDRDAF-UHFFFAOYSA-N
Synonyms
5-Methyl-1H-pyrrole-2-carbaldehyde
5-METHYL-2-FORMYLPYRROLE
SP16VW48RI
NSC-81349
DTXSID50152341
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.92
TPSA
32.86
LogP / Solubility
WLOGP
1.14
MLOGP
0.99
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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
![CAS 1192-92-3 2,5-Diazabicyclo[2.2.2]octane Dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1192-92-3.gif)
