CAS RN: 2089388-98-5
(R)-2-Amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid 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.20250323 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR901805
2089388-98-5 / (2R)-2-amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid;hydrochloride
Basic Information
CAS
2089388-98-5
Multi CAS
No
Molecular Formula
C8H9ClFNO3
Molecular Weight
221.610000
Exact Mass
221.025499
SMILES
C1=CC(=C(C=C1F)[C@H](C(=O)O)N)O.Cl
InChI
InChI=1S/C8H8FNO3.ClH/c9-4-1-2-6(11)5(3-4)7(10)8(12)13;/h1-3,7,11H,10H2,(H,12,13);1H/t7-;/m1./s1
InChIKey
CJAKCJAIPIAOGL-OGFXRTJISA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
49.88
TPSA
83.55
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-2-Amino-2-(6-chloropyridin-3-yl)ethanol dihydrochloride
- CAS RN: 2089388-97-4
- Product Code: LINR901758
-
(R)-2-Amino-2-(6-methoxypyridin-3-yl)ethanol dihydrochloride
- CAS RN: 1640848-71-0
- Product Code: SSC-071614
-
(R)-2-Amino-2-(naphthalen-2-yl)acetic acid hydrochloride
- CAS RN: 1393112-57-6
- Product Code: LINR901634
-
-
-
