CAS RN: 499195-60-7
ethyl 4-(2-chloropyriMidin-4-yl)benzoate
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250513 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250206 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251214 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250327 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260214 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250302 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250730 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20251124 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS499195-60-7
- Purity/Analytical Methods: >99.0%
499195-60-7 / ethyl 4-(2-chloropyrimidin-4-yl)benzoate
Basic Information
CAS
499195-60-7
Multi CAS
No
Molecular Formula
C13H11CLN2O2
Molecular Weight
262.690000
Exact Mass
262.050905
InChI
InChI=1S/C13H11ClN2O2/c1-2-18-12(17)10-5-3-9(4-6-10)11-7-8-15-13(14)16-11/h3-8H,2H2,1H3
InChIKey
PTSZMMLYAGLVQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
68.43
TPSA
52.08
LogP / Solubility
WLOGP
2.97
MLOGP
2.62
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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