CAS RN: 25055-84-9
3-Methyl-3H-diazirine-3-ethanol 4-methylbenzenesulfonate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250812 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260323 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251111 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250104 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251224 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260406 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-120543
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: 1g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
25055-84-9 / 2-(3-methyldiazirin-3-yl)ethyl 4-methylbenzenesulfonate
Basic Information
CAS
25055-84-9
Multi CAS
No
Molecular Formula
C11H14N2O3S
Molecular Weight
254.310000
Exact Mass
254.072513
InChI
InChI=1S/C11H14N2O3S/c1-9-3-5-10(6-4-9)17(14,15)16-8-7-11(2)12-13-11/h3-6H,7-8H2,1-2H3
InChIKey
MZQMGXQUJVZNBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
62.19
TPSA
68.09
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-(3-methyl-3H-diazirin-3-yl)ethanamine hydrochloride
- CAS RN: 25055-95-2
- Product Code: SSC-120545
-
-
-
5 – [[(6 – Methoxypyridin – 3 – yl)aMino]Methylidene] – 2,2 – diMethyl – 1,3 – dioxane – 4,6 – dione
- CAS RN: 25063-69-8
- Product Code: SSC-120564
-
![CAS 25063-69-8 5 – [[(6 – Methoxypyridin – 3 – yl)aMino]Methylidene] – 2,2 – diMethyl – 1,3 – dioxane – 4,6 – dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/25063-69-8.gif)
