CAS RN: 457654-89-6
2,5-Dichloro-L-Phenylalanine 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.20250131 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS457654-89-6
- Purity/Analytical Methods: >99.0%
457654-89-6 / 2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
Basic Information
CAS
457654-89-6
Multi CAS
Yes
Molecular Formula
C9H10CL3NO2
Molecular Weight
270.500000
Exact Mass
268.977712
InChI
InChI=1S/C9H9Cl2NO2.ClH/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H/t8-;/m0./s1
InChIKey
NUGCLNQWWHSBES-QRPNPIFTSA-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
63.03
TPSA
63.32
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.37
Consensus LogP
2.28
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.69
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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