CAS RN: 602-00-6
3-Hydroxy-2-nitrobenzoic Acid
Product Availability
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2 package records2 with current stock1 grade group
- Product code: SSC-168769
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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602-00-6 / 3-hydroxy-2-nitrobenzoic acid
Basic Information
CAS
602-00-6
Multi CAS
Yes
Molecular Formula
C7H5NO5
Molecular Weight
183.120000
Exact Mass
183.016772
InChI
InChI=1S/C7H5NO5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)
InChIKey
KPDBKQKRDJPBRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.72
TPSA
100.67
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
1.4
Consensus LogP
1.09
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.13
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
