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CAS 21586-25-4 7-bromothieno[3,2-d]pyrimidine molecular structure lightbox
CAS RN: 21586-25-4

7-bromothieno[3,2-d]pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS21586-25-4
  • Purity/Analytical Methods: >99.0%
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21586-25-4 / 7-bromothieno[3,2-d]pyrimidine

Standard CAS: 21586-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21586-25-4
Multi CAS
No
Molecular Formula
C6H3BrN2S
Molecular Weight
215.070000
Exact Mass
213.920030
SMILES
C1=C2C(=NC=N1)C(=CS2)Br
InChI
InChI=1S/C6H3BrN2S/c7-4-2-10-5-1-8-3-9-6(4)5/h1-3H
InChIKey
PDQOYFDDMSKPQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.12
TPSA
25.78

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2
Consensus LogP
2.2
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.29

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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