CAS RN: 131885-79-5
1-(3,4-DIAMINOPHENYL)-1H-IMIDAZOLE
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.20260511 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS131885-79-5
- Purity/Analytical Methods: >99.0%
131885-79-5 / 4-imidazol-1-ylbenzene-1,2-diamine
Basic Information
CAS
131885-79-5
Multi CAS
No
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
SMILES
C1=CC(=C(C=C1N2C=CN=C2)N)N
InChI
InChI=1S/C9H10N4/c10-8-2-1-7(5-9(8)11)13-4-3-12-6-13/h1-6H,10-11H2
InChIKey
RCHSUVGEODCRJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.39
TPSA
69.86
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.3
Consensus LogP
0.75
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.05
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
-
(R)-2-benzylmorpholine
- CAS RN: 131887-51-9
- Product Code: starshine_CAS131887-51-9
- Purity/Analytical method: >99.0%
-
-
-
-
Budesonide Impurity 6
- CAS RN: 131918-73-5
- Product Code: starshine_CAS131918-73-5
- Purity/Analytical method: >99.0%
-
