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: 1g, 10g, 25g, 5g, 100g
- Available purity: ≥98%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
5416-80-8 / 2-methyl-1H-indole-3-carbaldehyde
Basic Information
CAS
5416-80-8
Multi CAS
Yes
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
InChI
InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3
InChIKey
CYZIVXOEJNAIBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.42
TPSA
32.86
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
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
![CAS 271-29-4 1H-Pyrrolo[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2530-jpgcontextbwfzdgvyfhjvb3r8mja4mjl8aw1hz2uvanblz3xoodyvadmwlzkyota1nzy0mjkwodyvudi1mzauanbnfdk1yte1mzjkmwy1ntg3odbkzmiwzjhjngq0njazndjimzqwn2eyotaxyjm1odfjmjbknza2nze5ndk3odnhzgq.jpeg)
