CAS RN: 944317-70-8
(5-bromo-2-(methylthio)pyrimidin-4-yl)methanol
- Product code: SSC-209248
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
944317-70-8 / (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol
Basic Information
CAS
944317-70-8
Multi CAS
No
Molecular Formula
BC6H7ORn2S
Molecular Weight
235.100000
Exact Mass
233.946250
InChI
InChI=1S/C6H7BrN2OS/c1-11-6-8-2-4(7)5(3-10)9-6/h2,10H,3H2,1H3
InChIKey
FTRLNWHDSFOBEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.44
TPSA
46.01
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
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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