CAS RN: 90222-58-5
N,2-Dihydroxy-4-methoxybenzamide
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.20250906 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: LINN929651
90222-58-5 / N,2-dihydroxy-4-methoxybenzamide
Basic Information
CAS
90222-58-5
Multi CAS
No
Molecular Formula
C8H9NO4
Molecular Weight
183.160000
Exact Mass
183.053158
InChI
InChI=1S/C8H9NO4/c1-13-5-2-3-6(7(10)4-5)8(11)9-12/h2-4,10,12H,1H3,(H,9,11)
InChIKey
SXSCRLXHIORANK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
43.91
TPSA
78.79
LogP / Solubility
WLOGP
0.52
MLOGP
0.46
XLogP3
1.2
Consensus LogP
0.73
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.47
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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