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CAS 207675-84-1 5-Thiazolecarboxaldehyde, 2-(1-methylethyl)- (9CI) molecular structure lightbox
CAS RN: 207675-84-1

5-Thiazolecarboxaldehyde, 2-(1-methylethyl)- (9CI)

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 100mg In stock Shanghai Inquiry
Batchno.20251211 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250903 250mg In stock Shanghai Inquiry
Batchno.20260113 50mg In stock Shanghai Inquiry
Batchno.20251231 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251124 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS207675-84-1
  • Purity/Analytical Methods: >99.0%
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207675-84-1 / 2-propan-2-yl-1,3-thiazole-5-carbaldehyde

Standard CAS: 207675-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207675-84-1
Multi CAS
No
Molecular Formula
C7H9NOS
Molecular Weight
155.220000
Exact Mass
155.040485
SMILES
CC(C)C1=NC=C(S1)C=O
InChI
InChI=1S/C7H9NOS/c1-5(2)7-8-3-6(4-9)10-7/h3-5H,1-2H3
InChIKey
AQUYPRJMFNPTGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.59
TPSA
29.96

LogP / Solubility

WLOGP
2.08
MLOGP
1.82
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.19

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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