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CAS 99113-89-0 5-(2,5-Dichlorophenyl)furan-2-carbaldehyde molecular structure lightbox
CAS RN: 99113-89-0

5-(2,5-Dichlorophenyl)furan-2-carbaldehyde

  • Product code: SSC-213005
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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: ≥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 99113-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

99113-89-0 / 5-(2,5-dichlorophenyl)furan-2-carbaldehyde

Standard CAS: 99113-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99113-89-0
Multi CAS
No
Molecular Formula
C11H6CL2O2
Molecular Weight
241.070000
Exact Mass
239.974485
InChI
InChI=1S/C11H6Cl2O2/c12-7-1-3-10(13)9(5-7)11-4-2-8(6-14)15-11/h1-6H
InChIKey
RKZWOCAAXGBQBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.55
TPSA
30.21

LogP / Solubility

WLOGP
4.07
MLOGP
3.58
XLogP3
3.7
Consensus LogP
3.78
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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)
-1.3

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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