![CAS 849020-96-8 2-[(4-METHYLSULFONYL)PHENYL]ETHYLAMINEHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849020-96-8.gif)
CAS RN: 849020-96-8
2-[(4-METHYLSULFONYL)PHENYL]ETHYLAMINEHYDROCHLORIDE
- Product code: SSC-192622
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 | Shenzhen | Inquiry |
849020-96-8 / 2-(4-methylsulfonylphenyl)ethanamine;hydrochloride
Basic Information
CAS
849020-96-8
Multi CAS
No
Molecular Formula
C9H14CLNO2S
Molecular Weight
235.730000
Exact Mass
235.043378
InChI
InChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-4-2-8(3-5-9)6-7-10;/h2-5H,6-7,10H2,1H3;1H
InChIKey
WVEHJGNXMCKZNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.56
TPSA
60.16
LogP / Solubility
WLOGP
1.01
MLOGP
0.9
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 849021-37-0 2-(1,3-BENZOXAZOL-2-YL)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849021-37-0.gif)
