![CAS 2083628-75-3 8-bromo-5-(methylthio)imidazo[1,5-c]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2083628-75-3.png)
CAS RN: 2083628-75-3
8-bromo-5-(methylthio)imidazo[1,5-c]pyrimidine
- Product code: SSC-097966
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2083628-75-3 / 8-bromo-5-methylsulfanylimidazo[1,5-c]pyrimidine
Basic Information
CAS
2083628-75-3
Multi CAS
No
Molecular Formula
C7H6BrN3S
Molecular Weight
244.110000
Exact Mass
242.946580
SMILES
CSC1=NC=C(C2=CN=CN21)Br
InChI
InChI=1S/C7H6BrN3S/c1-12-7-10-2-5(8)6-3-9-4-11(6)7/h2-4H,1H3
InChIKey
FINBWKDKYDQUBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.47
TPSA
30.19
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.7
Consensus LogP
2.29
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.64
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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