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, 5g, 10g, 25g, 0.25g, 100g
- Available purity: >98%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 25g | >98% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
7575-93-1 / trideuteriomethyl 4-methylbenzenesulfonate
Basic Information
CAS
7575-93-1
Multi CAS
Yes
Molecular Formula
C8H10O3S
Molecular Weight
189.250000
Exact Mass
189.053896
InChI
InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3/i2D3
InChIKey
VUQUOGPMUUJORT-BMSJAHLVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.37
TPSA
43.37
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
2.2
Consensus LogP
1.57
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Solvent Yellow 114
- CAS RN: 7576-65-0
- Product Code: starshine_CAS7576-65-0
- Purity/Analytical method: >99.0%
-
-
-
4-Chloro-N-phenylbutyraMide
- CAS RN: 7578-45-2
- Product Code: starshine_CAS7578-45-2
- Purity/Analytical method: >99.0%
-
-
