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CAS 3849-22-7 [1(3H)-ISOINDOLINONE-3-YL]ACETIC ACID molecular structure lightbox
CAS RN: 3849-22-7

[1(3H)-ISOINDOLINONE-3-YL]ACETIC ACID

  • Product code: SSC-146139
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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: ≥98%
  • 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 3849-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

3849-22-7 / 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetic acid

Standard CAS: 3849-22-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3849-22-7
Multi CAS
Yes
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
InChI
InChI=1S/C10H9NO3/c12-9(13)5-8-6-3-1-2-4-7(6)10(14)11-8/h1-4,8H,5H2,(H,11,14)(H,12,13)
InChIKey
ARVSJYVMPQBCTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.9
TPSA
66.4

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
0.3
Consensus LogP
0.69
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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