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 |
24188-40-7 / 2-N-propan-2-ylpyridine-2,3-diamine
Basic Information
CAS
24188-40-7
Multi CAS
No
Molecular Formula
C8H13N3
Molecular Weight
151.210000
Exact Mass
151.110947
SMILES
CC(C)NC1=C(C=CC=N1)N
InChI
InChI=1S/C8H13N3/c1-6(2)11-8-7(9)4-3-5-10-8/h3-6H,9H2,1-2H3,(H,10,11)
InChIKey
UJMMDSXBFLGSRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.41
TPSA
50.94
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
1.3
Consensus LogP
1.36
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
