![CAS 2850-26-2 ethyl n‐[(4‐methylbenzenesulfonyl)methyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2850-26-2.gif)
CAS RN: 2850-26-2
ethyl n‐[(4‐methylbenzenesulfonyl)methyl]carbamate
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.20250103 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-129885
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2850-26-2 / ethyl N-[(4-methylphenyl)sulfonylmethyl]carbamate
Basic Information
CAS
2850-26-2
Multi CAS
No
Molecular Formula
C11H15NO4S
Molecular Weight
257.310000
Exact Mass
257.072179
InChI
InChI=1S/C11H15NO4S/c1-3-16-11(13)12-8-17(14,15)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKey
UTLABMWLBRDNAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.39
TPSA
72.47
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1.7
Consensus LogP
1.49
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
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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