CAS RN: 1391487-05-0
(2R)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL 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.20260517 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1391487-05-0
- Purity/Analytical Methods: >99.0%
1391487-05-0 / (2R)-2-amino-2-(2,5-dichlorophenyl)ethanol;hydrochloride
Basic Information
CAS
1391487-05-0
Multi CAS
No
Molecular Formula
C8H10Cl3NO
Molecular Weight
242.500000
Exact Mass
240.982797
SMILES
C1=CC(=C(C=C1Cl)[C@H](CO)N)Cl.Cl
InChI
InChI=1S/C8H9Cl2NO.ClH/c9-5-1-2-7(10)6(3-5)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m0./s1
InChIKey
FYGNQNNTBLYRHC-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.72
TPSA
46.25
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.49
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
-
(2S)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL HYDROCHLORIDE
- CAS RN: 1391487-11-8
- Product Code: starshine_CAS1391487-11-8
- Purity/Analytical method: >99.0%
-
(1S)-1-(2-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE HCl
- CAS RN: 1391489-27-2
- Product Code: SSC-049497
-
[4-((2R)PYRROLIDIN-2-YL)PHENOXY]TRIFLUOROMETHANE HYDROCHLORIDE
- CAS RN: 1391490-20-2
- Product Code: starshine_CAS1391490-20-2
- Purity/Analytical method: >99.0%
-
(2S)-2-AMINO-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-OL HYDROCHLORIDE
- CAS RN: 1391492-95-7
- Product Code: starshine_CAS1391492-95-7
- Purity/Analytical method: >99.0%
-
(R)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride
- CAS RN: 1391497-31-6
- Product Code: starshine_CAS1391497-31-6
- Purity/Analytical method: >99.0%
-
(1R)-1-(2,6-DICHLOROPHENYL)PROPAN-1-AMINE HYDROCHLORIDE
- CAS RN: 1391503-15-3
- Product Code: starshine_CAS1391503-15-3
- Purity/Analytical method: >99.0%
![CAS 1391490-20-2 [4-((2R)PYRROLIDIN-2-YL)PHENOXY]TRIFLUOROMETHANE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391490-20-2.gif)
![CAS 1391492-95-7 (2S)-2-AMINO-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-OL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391492-95-7.gif)
