CAS RN: 145545-23-9
3-(phenylamino)alanine
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.20260108 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-056863
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
145545-23-9 / (2S)-2-amino-3-anilinopropanoic acid
Basic Information
CAS
145545-23-9
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
SMILES
C1=CC=C(C=C1)NC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H12N2O2/c10-8(9(12)13)6-11-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1
InChIKey
HLZOBKHLQBRIJP-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.54
TPSA
75.35
LogP / Solubility
WLOGP
0.51
MLOGP
0.45
XLogP3
-1.1
Consensus LogP
-0.05
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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