CAS RN: 4599-47-7
2-AMINO-3-P-TOLYL-PROPIONIC ACID
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250226 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250702 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260614 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260513 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251223 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260216 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-153568
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
4599-47-7 / (2S)-2-amino-3-(4-methylphenyl)propanoic acid
Basic Information
CAS
4599-47-7
Multi CAS
Yes
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
InChI
InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChIKey
DQLHSFUMICQIMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.49
TPSA
63.32
LogP / Solubility
WLOGP
0.95
MLOGP
0.83
XLogP3
-1.2
Consensus LogP
0.19
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
