CAS RN: 1314406-40-0
Ethyl 5-(Ethylsulfonyl)pyridine-2-carboxylate
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.20251224 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-038335
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1314406-40-0 / ethyl 5-ethylsulfonylpyridine-2-carboxylate
Basic Information
CAS
1314406-40-0
Multi CAS
No
Molecular Formula
C10H13NO4S
Molecular Weight
243.280000
Exact Mass
243.056529
SMILES
CCOC(=O)C1=NC=C(C=C1)S(=O)(=O)CC
InChI
InChI=1S/C10H13NO4S/c1-3-15-10(12)9-6-5-8(7-11-9)16(13,14)4-2/h5-7H,3-4H2,1-2H3
InChIKey
SIHIRPBCEHQTAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
57.92
TPSA
73.33
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
1
Consensus LogP
0.99
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.46
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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