![CAS 583837-94-9 [4-(Ethanesulphonyl)phenyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/583837-94-9.gif)
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
583837-94-9 / (4-ethylsulfonylphenyl)methanamine
Basic Information
CAS
583837-94-9
Multi CAS
Yes
Molecular Formula
C9H13NO2S
Molecular Weight
199.270000
Exact Mass
199.066700
InChI
InChI=1S/C9H13NO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKey
SLAFBMBRXKFTDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.06
TPSA
60.16
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.4
Consensus LogP
0.72
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 583844-38-6 ((4S,5S)-(-)-O-[1-BENZYL-1-(5-METHYL-2-PHENYL-4,5-DIHYDROOXAZOL-4-YL)-2-PHENYLETHYL]-DICYCLOHEXYL-PHOSPHINITE)(1,5-COD)IRIDIUM (I) TETRAKIS(3,5-BIS(TRIFLUOROMETHYL)PHENYLBORATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/583844-38-6.gif)
