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CAS 874766-81-1 6-(3-broMophenyl)-1,2-dihydropyriMidine-2-thione molecular structure lightbox
CAS RN: 874766-81-1

6-(3-broMophenyl)-1,2-dihydropyriMidine-2-thione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250424 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS874766-81-1
  • Purity/Analytical Methods: >99.0%
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874766-81-1 / 6-(3-bromophenyl)-1H-pyrimidine-2-thione

Standard CAS: 874766-81-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874766-81-1
Multi CAS
Yes
Molecular Formula
BC10H7Rn2S
Molecular Weight
267.150000
Exact Mass
265.951330
InChI
InChI=1S/C10H7BrN2S/c11-8-3-1-2-7(6-8)9-4-5-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKey
ZTGRVGZIABYSCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.56
TPSA
28.68

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
2.2
Consensus LogP
2.97
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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