CAS RN: 1001094-89-8
(S)-4-(1-Aminoethyl)phenol hydrobromide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250202 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1001094-89-8
- Purity/Analytical Methods: >99.0%
1001094-89-8 / 4-[(1S)-1-aminoethyl]phenol;hydrobromide
(S)-4-(1-Aminoethyl)phenol hydrobromide | 1001094-89-8 | (S)-1-(4-Hydroxyphenyl)ethylamine Bromide Salt
Basic Information
CAS
1001094-89-8
Multi CAS
Yes
Molecular Formula
C8H12BrNO
Molecular Weight
218.090000
Exact Mass
217.010230
SMILES
C[C@@H](C1=CC=C(C=C1)O)N.Br
InChI
InChI=1S/C8H11NO.BrH/c1-6(9)7-2-4-8(10)5-3-7;/h2-6,10H,9H2,1H3;1H/t6-;/m0./s1
InChIKey
PZBBMKOZPQAHRA-RGMNGODLSA-N
Synonyms
(S)-4-(1-Aminoethyl)phenol hydrobromide
1001094-89-8
(S)-1-(4-Hydroxyphenyl)ethylamine Bromide Salt
4-[(1S)-1-aminoethyl]phenol hydrobromide
4-[(1S)-1-aminoethyl]phenol;hydrobromide
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.03
TPSA
46.25
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.99
Consensus LogP
1.91
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.64
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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