CAS RN: 882366-16-7
m-tolyl 5-chloro-2-(ethylsulfonyl)pyrimidine-4-carboxylate
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260314 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250625 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250723 | 1mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260121 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260615 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251029 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260417 | 5mg / 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS882366-16-7
- Purity/Analytical Methods: >99.0%
882366-16-7 / (3-methylphenyl) 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate
Basic Information
CAS
882366-16-7
Multi CAS
No
Molecular Formula
C14H13CLN2O4S
Molecular Weight
340.800000
Exact Mass
340.028456
InChI
InChI=1S/C14H13ClN2O4S/c1-3-22(19,20)14-16-8-11(15)12(17-14)13(18)21-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3
InChIKey
IJPXOPBVXVPPEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
80.91
TPSA
86.22
LogP / Solubility
WLOGP
2.45
MLOGP
2.17
XLogP3
2.9
Consensus LogP
2.51
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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