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CAS 50329-91-4 4-CHLORO-2-OXO-2H-CHROMENE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 50329-91-4

4-CHLORO-2-OXO-2H-CHROMENE-3-CARBALDEHYDE

  • Product code: SSC-156787
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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 50329-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

50329-91-4 / 4-chloro-2-oxochromene-3-carbaldehyde

Standard CAS: 50329-91-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50329-91-4
Multi CAS
Yes
Molecular Formula
C10H5CLO3
Molecular Weight
208.600000
Exact Mass
207.992722
InChI
InChI=1S/C10H5ClO3/c11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h1-5H
InChIKey
CLLLQUGVEQADNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.88
TPSA
47.28

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
1.9
Consensus LogP
2.05
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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