![CAS 21124-13-0 1-Methyl-3-p-tolyltriazene [for Esterification] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m0641-jpgcontextbwfzdgvyfhjvb3r8mzu5ntf8aw1hz2uvanblz3xoowivadrilzg5mzeyodk3oti1ndivtta2ndeuanbnfgq1ytdlyjflmzqwntkwndzhm2fhyzi2ntrjzmuyzdjizddhmjuxnzm4zjawzmfjnju0yzazztg1zgzjzmm0ote.jpeg)
CAS RN: 21124-13-0
1-Methyl-3-p-tolyltriazene [for Esterification]
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.20260412 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-100816
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 | Shenzhen | Inquiry |
21124-13-0 / 4-methyl-N-(methyldiazenyl)aniline
Basic Information
CAS
21124-13-0
Multi CAS
No
Molecular Formula
C8H11N3
Molecular Weight
149.190000
Exact Mass
149.095297
SMILES
CC1=CC=C(C=C1)NN=NC
InChI
InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)
InChIKey
DNGJVDGPCGXBFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.58
TPSA
36.75
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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