CAS RN: 1233026-31-7
2-Chloro-4-(methylsulfonyl)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.20260602 | 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1233026-31-7
- Purity/Analytical Methods: >99.0%
1233026-31-7 / 2-chloro-4-methylsulfonylpyrimidine
Basic Information
CAS
1233026-31-7
Multi CAS
No
Molecular Formula
C5H5ClN2O2S
Molecular Weight
192.620000
Exact Mass
191.976026
SMILES
CS(=O)(=O)C1=NC(=NC=C1)Cl
InChI
InChI=1S/C5H5ClN2O2S/c1-11(9,10)4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
YJIANTUNRFFGOK-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
4
Molar refractivity
40.15
TPSA
59.92
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.7
Consensus LogP
0.57
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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