CAS RN: 873429-57-3
2,3-Dichloro-L-Phenylalanine
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.20260217 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS873429-57-3
- Purity/Analytical Methods: >99.0%
873429-57-3 / 2-amino-3-(2,3-dichlorophenyl)propanoic acid
Basic Information
CAS
873429-57-3
Multi CAS
Yes
Molecular Formula
C9H9CL2NO2
Molecular Weight
234.080000
Exact Mass
233.001034
InChI
InChI=1S/C9H9Cl2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/m0/s1
InChIKey
NVDAAIHKUHFKOL-ZETCQYMHSA-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
55.78
TPSA
63.32
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
-0.2
Consensus LogP
1.16
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.76
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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