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CAS 10463-20-4 4-Hydroxy-3-nitrophenylacetic Acid molecular structure lightbox
CAS RN: 10463-20-4

4-Hydroxy-3-nitrophenylacetic Acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100g In stock Inquiry
Batchno.20250330 1g In stock Inquiry
Batchno.20251213 200mg In stock Inquiry
Batchno.20250608 25g In stock Inquiry
Batchno.20251212 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-006387
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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: 5g, 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 10463-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

10463-20-4 / 2-(4-hydroxy-3-nitrophenyl)acetic acid

Hapten NP | NP-Hapten | 4-hydroxy-3-nitrophenylacetyl

Standard CAS: 10463-20-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10463-20-4
Multi CAS
Yes
Molecular Formula
C8H7NO5
Molecular Weight
197.140000
Exact Mass
197.032422
SMILES
C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O
InChI
InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)
InChIKey
QBHBHOSRLDPIHG-UHFFFAOYSA-N
Synonyms
Hapten NP NP-Hapten 4-hydroxy-3-nitrophenylacetyl 4-hydroxy-3-nitrophenyl acetyl (4-hydroxy-3-nitrophenyl)acetyl

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
1.5
Consensus LogP
1.08
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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