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CAS 2372-49-8 3-ISOPROPYLISOXAZOLO[5,4-B]PYRIDINE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 2372-49-8

3-ISOPROPYLISOXAZOLO[5,4-B]PYRIDINE-5-CARBOXYLIC ACID

  • Product code: SSC-115309
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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: 1g
  • 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 2372-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2372-49-8 / 4-[(carbamoylamino)methyl]benzoic acid

Standard CAS: 2372-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2372-49-8
Multi CAS
No
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
SMILES
C1=CC(=CC=C1CNC(=O)N)C(=O)O
InChI
InChI=1S/C9H10N2O3/c10-9(14)11-5-6-1-3-7(4-2-6)8(12)13/h1-4H,5H2,(H,12,13)(H3,10,11,14)
InChIKey
UZGDNWPABVDRGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
49.82
TPSA
92.42

LogP / Solubility

WLOGP
0.55
MLOGP
0.49
XLogP3
0.4
Consensus LogP
0.48
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.51

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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