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CAS 34569-29-4 1-((4-CHLOROPHENYL)METHYL)-1H-PYRROLE-2,5-DIONE molecular structure lightbox
CAS RN: 34569-29-4

1-((4-CHLOROPHENYL)METHYL)-1H-PYRROLE-2,5-DIONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 500mg Out of stock 15 business days Inquiry
  • Product code: SSC-141049
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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 34569-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

34569-29-4 / 1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione

Standard CAS: 34569-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34569-29-4
Multi CAS
No
Molecular Formula
C11H8CLNO2
Molecular Weight
221.640000
Exact Mass
221.024356
InChI
InChI=1S/C11H8ClNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-6H,7H2
InChIKey
BPKNINBFRMHMQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.15
TPSA
37.38

LogP / Solubility

WLOGP
1.76
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.82

Drug-likeness / Medicinal Chemistry

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

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