CAS RN: 1212816-55-1
(2R)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL
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.20250625 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1212816-55-1
- Purity/Analytical Methods: >99.0%
1212816-55-1 / (2R)-2-amino-2-(2,5-dichlorophenyl)ethanol
(R)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL | (2R)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL | MFCD09254046
Basic Information
CAS
1212816-55-1
Multi CAS
Yes
Molecular Formula
C8H9Cl2NO
Molecular Weight
206.070000
Exact Mass
205.006119
SMILES
C1=CC(=C(C=C1Cl)[C@H](CO)N)Cl
InChI
InChI=1S/C8H9Cl2NO/c9-5-1-2-7(10)6(3-5)8(11)4-12/h1-3,8,12H,4,11H2/t8-/m0/s1
InChIKey
GTRJRSYOEJFYII-QMMMGPOBSA-N
Synonyms
(R)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL
(2R)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL
MFCD09254046
(2R)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHANOL
AKOS015928544
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.48
TPSA
46.25
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.57
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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