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CAS 1204-36-0 2,5-Pyrrolidinedione, 1-(3-hydroxyphenyl)- molecular structure lightbox
CAS RN: 1204-36-0

2,5-Pyrrolidinedione, 1-(3-hydroxyphenyl)-

  • Product code: SSC-021366
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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 1204-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1204-36-0 / 1-(3-hydroxyphenyl)pyrrolidine-2,5-dione

1-(3-hydroxyphenyl)pyrrolidine-2,5-dione | N-(3-Hydroxyphenyl)succinimide | RefChem:423899

Standard CAS: 1204-36-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1204-36-0
Multi CAS
No
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
SMILES
C1CC(=O)N(C1=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H9NO3/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(11)14/h1-3,6,12H,4-5H2
InChIKey
JKQLQZKMBVUJCI-UHFFFAOYSA-N
Synonyms
1-(3-hydroxyphenyl)pyrrolidine-2,5-dione N-(3-Hydroxyphenyl)succinimide RefChem:423899 984-705-7 2,5-Pyrrolidinedione, 1-(3-hydroxyphenyl)-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.83
TPSA
57.61

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
Consensus LogP
0.66
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, 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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