CAS RN: 1803572-24-8
4-Carboxymethylphenylalanine hydrochloride
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.20250914 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1803572-24-8
- Purity/Analytical Methods: >99.0%
1803572-24-8 / 2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride
Basic Information
CAS
1803572-24-8
Multi CAS
No
Molecular Formula
C11H14ClNO4
Molecular Weight
259.680000
Exact Mass
259.061136
SMILES
C1=CC(=CC=C1CC(C(=O)O)N)CC(=O)O.Cl
InChI
InChI=1S/C11H13NO4.ClH/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16);1H
InChIKey
UHQUHPFJRUJHRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
64.35
TPSA
100.62
LogP / Solubility
WLOGP
0.69
MLOGP
0.61
XLogP3
0.69
Consensus LogP
0.66
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.81
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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