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CAS 19641-29-3 6-CHLORO-3 H-ISOBENZOFURAN-1-ONE molecular structure lightbox
CAS RN: 19641-29-3

6-CHLORO-3 H-ISOBENZOFURAN-1-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251214 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-092747
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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 19641-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19641-29-3 / 6-chloro-3H-2-benzofuran-1-one

Standard CAS: 19641-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19641-29-3
Multi CAS
No
Molecular Formula
C8H5ClO2
Molecular Weight
168.570000
Exact Mass
167.997807
SMILES
C1C2=C(C=C(C=C2)Cl)C(=O)O1
InChI
InChI=1S/C8H5ClO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
InChIKey
NUAVXUHBPNMQEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
40.57
TPSA
26.3

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.4
Consensus LogP
1.73
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

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