CAS RN: 270063-50-8
(S)-3-AMINO-4-(3,4-DICHLOROPHENYL)BUTANOIC 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.20251014 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS270063-50-8
- Purity/Analytical Methods: >99.0%
270063-50-8 / (3S)-3-amino-4-(3,4-dichlorophenyl)butanoic acid
Basic Information
CAS
270063-50-8
Multi CAS
No
Molecular Formula
C10H11Cl2NO2
Molecular Weight
248.100000
Exact Mass
247.016684
SMILES
C1=CC(=C(C=C1C[C@@H](CC(=O)O)N)Cl)Cl
InChI
InChI=1S/C10H11Cl2NO2/c11-8-2-1-6(4-9(8)12)3-7(13)5-10(14)15/h1-2,4,7H,3,5,13H2,(H,14,15)/t7-/m0/s1
InChIKey
MVUQWYZNNRALPX-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.39
TPSA
63.32
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
-0.2
Consensus LogP
1.4
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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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