![CAS 99651-37-3 2-Methyl-2H-[1,2,4]triazole-3-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/99651-37-3.gif)
CAS RN: 99651-37-3
2-Methyl-2H-[1,2,4]triazole-3-carbaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251215 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-213290
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
99651-37-3 / 2-methyl-1,2,4-triazole-3-carbaldehyde
Basic Information
CAS
99651-37-3
Multi CAS
No
Molecular Formula
C4H5N3O
Molecular Weight
111.100000
Exact Mass
111.043262
InChI
InChI=1S/C4H5N3O/c1-7-4(2-8)5-3-6-7/h2-3H,1H3
InChIKey
OJBNZAZUTPLWDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
26.39
TPSA
47.78
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.34
XLogP3
-0.2
Consensus LogP
-0.3
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very 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)
-3.66
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
Customers Also Viewed
-
5,10,15,20-Tetrakis-(4-aminophenyl)-porphyrin-Fe-(III)chlorid
- CAS RN: 99651-88-4
- Product Code: starshine_CAS99651-88-4
- Purity/Analytical method: >99.0%
-
-
1-Piperidinecarboxylic acid, 4-forMyl-, ethyl ester
- CAS RN: 99658-58-9
- Product Code: SSC-213292
-
-
-
