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CAS 1033809-93-6 2,3-dihydro-7-hydroxy-2-Methyl-1H-Isoindol-1-one molecular structure lightbox
CAS RN: 1033809-93-6

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-004899
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • 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 1033809-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1033809-93-6 / 7-hydroxy-2-methyl-3H-isoindol-1-one

7-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one | RefChem:546536 | 807-878-1

Standard CAS: 1033809-93-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1033809-93-6
Multi CAS
No
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
SMILES
CN1CC2=C(C1=O)C(=CC=C2)O
InChI
InChI=1S/C9H9NO2/c1-10-5-6-3-2-4-7(11)8(6)9(10)12/h2-4,11H,5H2,1H3
InChIKey
YQIQCEXITGSZDR-UHFFFAOYSA-N
Synonyms
7-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one RefChem:546536 807-878-1 7-hydroxy-2-methylisoindolin-1-one 7-hydroxy-2-methyl-3H-isoindol-1-one

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.9
TPSA
40.54

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
1.2
Consensus LogP
1.01
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.02

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
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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