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CAS 1033809-85-6 1H-Isoindol-1-one,2,3-dihydro-7-hydroxy- molecular structure lightbox
CAS RN: 1033809-85-6

1H-Isoindol-1-one,2,3-dihydro-7-hydroxy-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-004898
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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: 0.25g
  • 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 1033809-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1033809-85-6 / 7-hydroxy-2,3-dihydroisoindol-1-one

7-Hydroxyisoindolin-1-one | 7-Hydroxy-2,3-dihydro-1H-isoindol-1-one | 7-hydroxy-2,3-dihydroisoindol-1-one

Standard CAS: 1033809-85-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1033809-85-6
Multi CAS
No
Molecular Formula
C8H7NO2
Molecular Weight
149.150000
Exact Mass
149.047678
SMILES
C1C2=C(C(=CC=C2)O)C(=O)N1
InChI
InChI=1S/C8H7NO2/c10-6-3-1-2-5-4-9-8(11)7(5)6/h1-3,10H,4H2,(H,9,11)
InChIKey
QZKWUFXTQKCDBI-UHFFFAOYSA-N
Synonyms
7-Hydroxyisoindolin-1-one 7-Hydroxy-2,3-dihydro-1H-isoindol-1-one 7-hydroxy-2,3-dihydroisoindol-1-one MFCD18416894 1H-ISOINDOL-1-ONE,2,3-DIHYDRO-7-HYDROXY-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.28
TPSA
49.33

LogP / Solubility

WLOGP
0.64
MLOGP
0.55
XLogP3
1
Consensus LogP
0.73
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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