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CAS 152148-79-3 2-(3-HYDROXY-4-NITROPHENYL)ACETIC ACID molecular structure lightbox
CAS RN: 152148-79-3

2-(3-HYDROXY-4-NITROPHENYL)ACETIC ACID

  • Product code: SSC-061924
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 152148-79-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

152148-79-3 / 2-(3-hydroxy-4-nitrophenyl)acetic acid

Standard CAS: 152148-79-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152148-79-3
Multi CAS
No
Molecular Formula
C8H7NO5
Molecular Weight
197.140000
Exact Mass
197.032422
SMILES
C1=CC(=C(C=C1CC(=O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO5/c10-7-3-5(4-8(11)12)1-2-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)
InChIKey
USYXXSPSICUYRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.1
TPSA
100.67

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
1.4
Consensus LogP
1.05
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-3.26

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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