CAS RN: 31659-42-4
4,5-dihydro-2-(3-nitrophenyl)-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.20251219 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31659-42-4
- Purity/Analytical Methods: >99.0%
31659-42-4 / 2-(3-nitrophenyl)-4,5-dihydro-1H-imidazole
Basic Information
CAS
31659-42-4
Multi CAS
Yes
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
InChI
InChI=1S/C9H9N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-3,6H,4-5H2,(H,10,11)
InChIKey
YSCJJOXSVFNSPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.5
TPSA
67.53
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-3.22
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
-
Benzenamine, 2,2′-(1,3-butadiyne-1,4-diyl)bis-
- CAS RN: 31661-58-2
- Product Code: starshine_CAS31661-58-2
- Purity/Analytical method: >99.0%
-
-
2,6-Bis(3-hydroxyphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydrobenzo[1,2-c:4,5-c’]dipyrrole
- CAS RN: 31663-69-1
- Product Code: starshine_CAS31663-69-1
- Purity/Analytical method: >99.0%
-
7-Iodooxindole
- CAS RN: 31676-49-0
- Product Code: starshine_CAS31676-49-0
- Purity/Analytical method: >99.0%
-
-
![CAS 31663-69-1 2,6-Bis(3-hydroxyphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydrobenzo[1,2-c:4,5-c’]dipyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31663-69-1.gif)
