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CAS 65422-72-2 2-OXO-2,3-DIHYDRO-BENZOOXAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 65422-72-2

2-OXO-2,3-DIHYDRO-BENZOOXAZOLE-5-CARBOXYLIC ACID

  • Product code: SSC-175090
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >98%
  • 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 65422-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shanghai Inquiry
0.25g >98% 5 In Stock Shanghai Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry

65422-72-2 / 2-oxo-3H-1,3-benzoxazole-5-carboxylic acid

Standard CAS: 65422-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65422-72-2
Multi CAS
No
Molecular Formula
C8H5NO4
Molecular Weight
179.130000
Exact Mass
179.021858
InChI
InChI=1S/C8H5NO4/c10-7(11)4-1-2-6-5(3-4)9-8(12)13-6/h1-3H,(H,9,12)(H,10,11)
InChIKey
KHVGBYCMDLCIAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.79
TPSA
83.3

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.23

Drug-likeness / Medicinal Chemistry

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

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