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CAS 17831-88-8 4-CHLORO-2H-CHROMEN-2-ONE molecular structure lightbox
CAS RN: 17831-88-8

4-CHLORO-2H-CHROMEN-2-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-078795
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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: 5g
  • 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 17831-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

17831-88-8 / 4-chlorochromen-2-one

Standard CAS: 17831-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17831-88-8
Multi CAS
No
Molecular Formula
C9H5ClO2
Molecular Weight
180.590000
Exact Mass
179.997807
SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)Cl
InChI
InChI=1S/C9H5ClO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChIKey
RKEYJFRSDLEQIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
47.49
TPSA
30.21

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

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

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