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CAS 1415564-44-1 4-broMo-2-(chroMan-8-yl)thiazole molecular structure lightbox
CAS RN: 1415564-44-1

4-broMo-2-(chroMan-8-yl)thiazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1415564-44-1
  • Purity/Analytical Methods: >99.0%
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1415564-44-1 / 4-bromo-2-(3,4-dihydro-2H-chromen-8-yl)-1,3-thiazole

Standard CAS: 1415564-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415564-44-1
Multi CAS
No
Molecular Formula
C12H10BrNOS
Molecular Weight
296.180000
Exact Mass
294.966650
SMILES
C1CC2=C(C(=CC=C2)C3=NC(=CS3)Br)OC1
InChI
InChI=1S/C12H10BrNOS/c13-10-7-16-12(14-10)9-5-1-3-8-4-2-6-15-11(8)9/h1,3,5,7H,2,4,6H2
InChIKey
BIRWLOZHKYYLAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.07
TPSA
22.12

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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)
-1.76

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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