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CAS 199601-80-4 5-(3-NITROPHENYL)-3-ISOXAZOLECARBOXYLIC ACID molecular structure lightbox
CAS RN: 199601-80-4

5-(3-NITROPHENYL)-3-ISOXAZOLECARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250921 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250718 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260414 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260615 5g In stock Shenzhen Inquiry
  • Product code: SSC-093959
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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, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 199601-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
0.1g >97% 4 In Stock Shenzhen Inquiry
0.25g >97% 4 In Stock Hong Kong Inquiry

199601-80-4 / 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylic acid

Standard CAS: 199601-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199601-80-4
Multi CAS
No
Molecular Formula
C10H6N2O5
Molecular Weight
234.160000
Exact Mass
234.027671
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C10H6N2O5/c13-10(14)8-5-9(17-11-8)6-2-1-3-7(4-6)12(15)16/h1-5H,(H,13,14)
InChIKey
UADDGBIOHFWIDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.55
TPSA
106.47

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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