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: 0.1g, 5g, 10g, 0.25g, 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
871352-94-2 / 1-bromo-2-methyl-3-methylsulfonylbenzene
Basic Information
CAS
871352-94-2
Multi CAS
No
Molecular Formula
C8H9BRO2S
Molecular Weight
249.130000
Exact Mass
247.950660
InChI
InChI=1S/C8H9BrO2S/c1-6-7(9)4-3-5-8(6)12(2,10)11/h3-5H,1-2H3
InChIKey
FOTWJWSTPVURRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.99
TPSA
34.14
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
AS703569
- CAS RN: 871357-89-0
- Product Code: starshine_CAS871357-89-0
- Purity/Analytical method: >99.0%
-
(1R,2R,3S,4S)-3-(tert-Butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- CAS RN: 871357-91-4
- Product Code: SSC-196762
-
D-xylo-D-allo-Dodeconic acid, 3,7:6,10-dianhydro-8,9-O-cyclohexylidene-2,4,5-trideoxy-, methyl ester
- CAS RN: 871360-12-2
- Product Code: SSC-196764
-
(R)-N-(2-(4-isopropyl-4,5-dihydrooxazol-2-yl) – 6-methylphenyl)methane sulfonamide
- CAS RN: 871360-40-6
- Product Code: SSC-196765
-
![CAS 871357-91-4 (1R,2R,3S,4S)-3-(tert-Butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871357-91-4.gif)
