CAS RN: 1917356-29-6
(R)-2-Amino-2-(4-(ethylthio)phenyl)ethanol hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260319 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1917356-29-6
- Purity/Analytical Methods: >99.0%
1917356-29-6 / (2R)-2-amino-2-(4-ethylsulfanylphenyl)ethanol;hydrochloride
Basic Information
CAS
1917356-29-6
Multi CAS
No
Molecular Formula
C10H16ClNOS
Molecular Weight
233.760000
Exact Mass
233.064113
SMILES
CCSC1=CC=C(C=C1)[C@H](CO)N.Cl
InChI
InChI=1S/C10H15NOS.ClH/c1-2-13-9-5-3-8(4-6-9)10(11)7-12;/h3-6,10,12H,2,7,11H2,1H3;1H/t10-;/m0./s1
InChIKey
JGDTVARGZDKHFK-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.1
TPSA
46.25
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.21
Consensus LogP
2.12
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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