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CAS 339018-23-4 (2-CHLORO-1,3-THIAZOL-5-YL)METHYL PHENYL ETHER molecular structure lightbox
CAS RN: 339018-23-4

(2-CHLORO-1,3-THIAZOL-5-YL)METHYL PHENYL ETHER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 100mg / 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS339018-23-4
  • Purity/Analytical Methods: >99.0%
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339018-23-4 / 2-chloro-5-(phenoxymethyl)-1,3-thiazole

Standard CAS: 339018-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
339018-23-4
Multi CAS
No
Molecular Formula
C10H8CLNOS
Molecular Weight
225.700000
Exact Mass
225.001513
InChI
InChI=1S/C10H8ClNOS/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
DKLDULIVLVOTMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
57.9
TPSA
22.12

LogP / Solubility

WLOGP
3.38
MLOGP
2.97
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.7

Drug-likeness / Medicinal Chemistry

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

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