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CAS 23386-40-5 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo- molecular structure lightbox
CAS RN: 23386-40-5

1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-

  • Product code: SSC-113115
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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: 5g, 0.1g, 0.25g, 1g, 10g
  • Available purity: >96%
  • Inventory rows with stock: 10
  • 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 23386-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 3 In Stock Hong Kong Inquiry
5g >96% 3 In Stock Shenzhen Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.1g >96% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g >96% 2 In Stock Shanghai Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g >96% 2 In Stock Shanghai Inquiry
10g -- 1 In Stock Shenzhen Inquiry
10g >96% 1 In Stock Beijing Inquiry

23386-40-5 / 1-oxo-2,3-dihydroisoindole-5-carboxylic acid

Standard CAS: 23386-40-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23386-40-5
Multi CAS
No
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
SMILES
C1C2=C(C=CC(=C2)C(=O)O)C(=O)N1
InChI
InChI=1S/C9H7NO3/c11-8-7-2-1-5(9(12)13)3-6(7)4-10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKey
OLKKGIPWCIURHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.57
TPSA
66.4

LogP / Solubility

WLOGP
0.63
MLOGP
0.55
XLogP3
0.3
Consensus LogP
0.49
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

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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