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CAS 1209494-04-1 2-Chloro-5-ethoxymethyl-thiazole molecular structure lightbox
CAS RN: 1209494-04-1

2-Chloro-5-ethoxymethyl-thiazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1209494-04-1
  • Purity/Analytical Methods: >99.0%
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1209494-04-1 / 2-chloro-5-(ethoxymethyl)-1,3-thiazole

2-chloro-5-(ethoxymethyl)thiazole | 2-Chloro-5-ethoxymethyl-thiazole | 2-Chloro-5-(ethoxymethyl)-1,3-thiazole

Standard CAS: 1209494-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209494-04-1
Multi CAS
No
Molecular Formula
C6H8ClNOS
Molecular Weight
177.650000
Exact Mass
177.001513
SMILES
CCOCC1=CN=C(S1)Cl
InChI
InChI=1S/C6H8ClNOS/c1-2-9-4-5-3-8-6(7)10-5/h3H,2,4H2,1H3
InChIKey
JGEREWXSIKBLFO-UHFFFAOYSA-N
Synonyms
2-chloro-5-(ethoxymethyl)thiazole 2-Chloro-5-ethoxymethyl-thiazole 2-Chloro-5-(ethoxymethyl)-1,3-thiazole DTXSID30693803 MFCD18837198

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
42.45
TPSA
22.12

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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