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CAS 55359-96-1 5-Thiazolecarboxaldehyde, 4-chloro-2,3-dihydro-2-oxo- molecular structure lightbox
CAS RN: 55359-96-1

5-Thiazolecarboxaldehyde, 4-chloro-2,3-dihydro-2-oxo-

  • Product code: SSC-163231
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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 55359-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

55359-96-1 / 4-chloro-2-oxo-3H-1,3-thiazole-5-carbaldehyde

Standard CAS: 55359-96-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55359-96-1
Multi CAS
Yes
Molecular Formula
C4H2CLNO2S
Molecular Weight
163.580000
Exact Mass
162.949477
InChI
InChI=1S/C4H2ClNO2S/c5-3-2(1-7)9-4(8)6-3/h1H,(H,6,8)
InChIKey
JRJVASOIWDZPCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.34
TPSA
49.93

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.08

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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