CAS RN: 2241594-33-0
(2S)-2-AMINO-2-(2,4-DIFLUOROPHENYL)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.20251108 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2241594-33-0
- Purity/Analytical Methods: >99.0%
2241594-33-0 / (2S)-2-amino-2-(2,4-difluorophenyl)acetic acid;hydrochloride
Basic Information
CAS
2241594-33-0
Multi CAS
No
Molecular Formula
C8H8ClF2NO2
Molecular Weight
223.600000
Exact Mass
223.021163
SMILES
C1=CC(=C(C=C1F)F)[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C8H7F2NO2.ClH/c9-4-1-2-5(6(10)3-4)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H/t7-;/m0./s1
InChIKey
WIXGQKSSYMPCBH-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.17
TPSA
63.32
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1.47
Consensus LogP
1.41
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.04
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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