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CAS 20526-97-0 3-(4-Chlorobenzal)phthalide molecular structure lightbox
CAS RN: 20526-97-0

3-(4-Chlorobenzal)phthalide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251216 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-096557
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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: 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 20526-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

20526-97-0 / 3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one

Standard CAS: 20526-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20526-97-0
Multi CAS
No
Molecular Formula
C15H9ClO2
Molecular Weight
256.680000
Exact Mass
256.029107
SMILES
C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)Cl)OC2=O
InChI
InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H
InChIKey
OHRFHJYUEWVXBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
71.18
TPSA
26.3

LogP / Solubility

WLOGP
4.01
MLOGP
3.53
XLogP3
4.1
Consensus LogP
3.88
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

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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