CAS RN: 917895-51-3
4,6-Dichloro-5-iodo-2-(methylthio)pyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250313 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS917895-51-3
- Purity/Analytical Methods: >99.0%
917895-51-3 / 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine
Basic Information
CAS
917895-51-3
Multi CAS
No
Molecular Formula
C5H3CL2IN2S
Molecular Weight
320.970000
Exact Mass
319.843870
InChI
InChI=1S/C5H3Cl2IN2S/c1-11-5-9-3(6)2(8)4(7)10-5/h1H3
InChIKey
CSALCFDNQLMLGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.55
TPSA
25.78
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3.6
Consensus LogP
3.15
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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