CAS RN: 89977-10-6
1,4-Benzenedicarboxylicacid,2-hydrazino-(9CI)
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.20251206 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS89977-10-6
- Purity/Analytical Methods: >99.0%
89977-10-6 / 2-hydrazinylterephthalic acid
Basic Information
CAS
89977-10-6
Multi CAS
No
Molecular Formula
C8H8N2O4
Molecular Weight
196.160000
Exact Mass
196.048407
InChI
InChI=1S/C8H8N2O4/c9-10-6-3-4(7(11)12)1-2-5(6)8(13)14/h1-3,10H,9H2,(H,11,12)(H,13,14)
InChIKey
NPDGXVBAYQWWPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
48.17
TPSA
112.65
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
-1.5
Consensus LogP
-0.27
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-3.65
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
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