CAS RN: 15791-90-9
2,5-DIHYDROXYBENZOHYDRAZIDE
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.20260520 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS15791-90-9
- Purity/Analytical Methods: >99.0%
15791-90-9 / 2,5-dihydroxybenzohydrazide
Basic Information
CAS
15791-90-9
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
C1=CC(=C(C=C1O)C(=O)NN)O
InChI
InChI=1S/C7H8N2O3/c8-9-7(12)5-3-4(10)1-2-6(5)11/h1-3,10-11H,8H2,(H,9,12)
InChIKey
BLXGSJAZCDGAEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
41.43
TPSA
95.58
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.27
XLogP3
0.2
Consensus LogP
-0.12
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very 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)
-3.96
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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