CAS RN: 2044705-93-1
(S)-2-Amino-2-(3,5-difluorophenyl)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.20260215 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2044705-93-1
- Purity/Analytical Methods: >99.0%
2044705-93-1 / 2-amino-2-(3,5-difluorophenyl)ethanol;hydrochloride
Basic Information
CAS
2044705-93-1
Multi CAS
No
Molecular Formula
C8H10ClF2NO
Molecular Weight
209.620000
Exact Mass
209.041898
SMILES
C1=C(C=C(C=C1F)F)C(CO)N.Cl
InChI
InChI=1S/C8H9F2NO.ClH/c9-6-1-5(8(11)4-12)2-7(10)3-6;/h1-3,8,12H,4,11H2;1H
InChIKey
NFBOQSJNFZSBBC-UHFFFAOYSA-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
47.62
TPSA
46.25
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.38
Consensus LogP
1.32
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.02
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
-
![CAS 2044706-06-9 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrobromide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrobromide
- CAS RN: 2044706-06-9
- Product Code: SSC-096212
-
[cis-3-methoxycyclobutyl]methanamine hydrochloride
- CAS RN: 2044706-13-8
- Product Code: SSC-096213
-
-
Methyl 6-((N-(3-bromobenzyl)sulfamoyl)amino)-6-oxohexanoate
- CAS RN: 2044706-64-9
- Product Code: starshine_CAS2044706-64-9
- Purity/Analytical method: >99.0%
-
3H-Spiro[furo[3,4-c]pyridine-1,4′-piperidine] hydrochloride
- CAS RN: 2044706-82-1
- Product Code: starshine_CAS2044706-82-1
- Purity/Analytical method: >99.0%
-
![CAS 2044706-06-9 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044706-06-9.png)
![CAS 2044706-13-8 [cis-3-methoxycyclobutyl]methanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044706-13-8.png)
![CAS 2044706-82-1 3H-Spiro[furo[3,4-c]pyridine-1,4′-piperidine] hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044706-82-1.png)
