CAS RN: 2375248-68-1
(2S)-2-AMINO-3-(3-CHLORO-2-FLUOROPHENYL)PROPANOIC 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.20251028 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2375248-68-1
- Purity/Analytical Methods: >99.0%
2375248-68-1 / 2-amino-3-(3-chloro-2-fluorophenyl)propanoic acid;hydrochloride
Basic Information
CAS
2375248-68-1
Multi CAS
No
Molecular Formula
C9H10Cl2FNO2
Molecular Weight
254.080000
Exact Mass
253.007262
SMILES
C1=CC(=C(C(=C1)Cl)F)CC(C(=O)O)N.Cl
InChI
InChI=1S/C9H9ClFNO2.ClH/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14;/h1-3,7H,4,12H2,(H,13,14);1H
InChIKey
JGZMSDQRWPOPQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.97
TPSA
63.32
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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