CAS RN: 1213600-83-9
(2S)-2-AMINO-2-(2-BROMOPHENYL)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.20260421 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1213600-83-9
- Purity/Analytical Methods: >99.0%
1213600-83-9 / (2S)-2-amino-2-(2-bromophenyl)ethanol
2-amino-2-(2-bromophenyl)ethanol | b-Amino-2-bromobenzeneethanol | 2-amino-2-(2-bromophenyl)ethan-1-ol
Basic Information
CAS
1213600-83-9
Multi CAS
Yes
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
C1=CC=C(C(=C1)[C@@H](CO)N)Br
InChI
InChI=1S/C8H10BrNO/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m1/s1
InChIKey
VUSFGKBTMASDCO-MRVPVSSYSA-N
Synonyms
2-amino-2-(2-bromophenyl)ethanol
b-Amino-2-bromobenzeneethanol
2-amino-2-(2-bromophenyl)ethan-1-ol
MFCD12827196
SCHEMBL1439773
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.16
TPSA
46.25
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
0.8
Consensus LogP
1.17
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
(2R)-2-AMINO-2-(3,4,5-TRIFLUOROPHENYL)ETHAN-1-OL
- CAS RN: 1213623-75-6
- Product Code: starshine_CAS1213623-75-6
- Purity/Analytical method: >99.0%
-
(R)-1-(3-Chlorophenyl)-2,2,2-trifluoroethanaMine
- CAS RN: 1213627-66-7
- Product Code: SSC-023448
-
(R)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE-HCl
- CAS RN: 1213630-93-3
- Product Code: SSC-023451
-
METHYL (2S)-2-AMINO-3-(2-FLUORO-4-METHYLPHENYL)PROPANOATE
- CAS RN: 1213632-12-2
- Product Code: SSC-023452
-
(R)-3-aMino-3-(3-broMophenyl)propan-1-ol HCL
- CAS RN: 1213637-86-5
- Product Code: starshine_CAS1213637-86-5
- Purity/Analytical method: >99.0%
![CAS 1213630-93-3 (R)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE-HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1213630-93-3.gif)
