CAS RN: 930769-55-4
(S)-3-AMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACID HCl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS930769-55-4
- Purity/Analytical Methods: >99.0%
930769-55-4 / 3-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride
Basic Information
CAS
930769-55-4
Multi CAS
Yes
Molecular Formula
C9H11CL2NO2
Molecular Weight
236.090000
Exact Mass
235.016684
InChI
InChI=1S/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
InChIKey
OWLYBHXRFBLXNQ-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.88
TPSA
63.32
LogP / Solubility
WLOGP
2.24
MLOGP
1.97
XLogP3
2.24
Consensus LogP
2.15
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
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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