CAS RN: 1621375-32-3

4-(4-(4,5-dibromo-1H-imidazol-1-yl)thiazol-2-yl)morpholine

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 100mg Out of stock Inquiry
Batchno.20260526 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1621375-32-3
  • Purity/Analytical Methods: >99.0%
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1621375-32-3 / 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine

Standard CAS: 1621375-32-3 Multi CAS: No

Basic Information

CAS
1621375-32-3
Multi CAS
No
Molecular Formula
C10H10Br2N4OS
Molecular Weight
394.090000
Exact Mass
393.892160
SMILES
C1COCCN1C2=NC(=CS2)N3C=C(N=C3Br)Br
InChI
InChI=1S/C10H10Br2N4OS/c11-7-5-16(9(12)13-7)8-6-18-10(14-8)15-1-3-17-4-2-15/h5-6H,1-4H2
InChIKey
AZLNRGRZOLVWRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
77.67
TPSA
43.18

LogP / Solubility

WLOGP
2.69
MLOGP
2.39
XLogP3
3.2
Consensus LogP
2.76
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.21

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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