CAS RN: 1942879-46-0
2,5-di(1H-imidazol-1-yl)terephthalic acid
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250528 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260325 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250116 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251101 | 250mg | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20251128 | 250mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250618 | 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251216 | 5g | In stock | Shanghai | Inquiry |
- Product code: LINH887238
1942879-46-0 / 2,5-di(imidazol-1-yl)terephthalic acid
Basic Information
CAS
1942879-46-0
Multi CAS
No
Molecular Formula
C14H10N4O4
Molecular Weight
298.250000
Exact Mass
298.070205
SMILES
C1=CN(C=N1)C2=CC(=C(C=C2C(=O)O)N3C=CN=C3)C(=O)O
InChI
InChI=1S/C14H10N4O4/c19-13(20)9-6-12(18-4-2-16-8-18)10(14(21)22)5-11(9)17-3-1-15-7-17/h1-8H,(H,19,20)(H,21,22)
InChIKey
VJXCLSZDBWNUJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
74.6
TPSA
110.24
LogP / Solubility
WLOGP
1.45
MLOGP
1.29
XLogP3
0.5
Consensus LogP
1.08
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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