CAS RN: 132732-79-7
(S)-2-Amino-3-(4-fluoro-3-hydroxyphenyl)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.20260104 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS132732-79-7
- Purity/Analytical Methods: >99.0%
132732-79-7 / (2S)-2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoic acid;hydrochloride
Basic Information
CAS
132732-79-7
Multi CAS
No
Molecular Formula
C9H11ClFNO3
Molecular Weight
235.640000
Exact Mass
235.041149
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)F.Cl
InChI
InChI=1S/C9H10FNO3.ClH/c10-6-2-1-5(4-8(6)12)3-7(11)9(13)14;/h1-2,4,7,12H,3,11H2,(H,13,14);1H/t7-;/m0./s1
InChIKey
MAUGDVQDDJABMU-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
54.63
TPSA
83.55
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
0.91
Consensus LogP
0.87
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.51
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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