CAS RN: 80852-34-2
Phenylalanine, 3-carboxy-, hydrochloride (9CI)
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.20250526 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-189479
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
80852-34-2 / 3-(2-amino-2-carboxyethyl)benzoic acid;hydrochloride
Basic Information
CAS
80852-34-2
Multi CAS
No
Molecular Formula
C10H12CLNO4
Molecular Weight
245.660000
Exact Mass
245.045486
InChI
InChI=1S/C10H11NO4.ClH/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13;/h1-4,8H,5,11H2,(H,12,13)(H,14,15);1H
InChIKey
NLSQVXAYBFSSOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
59.96
TPSA
100.62
LogP / Solubility
WLOGP
0.76
MLOGP
0.68
XLogP3
0.76
Consensus LogP
0.73
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.68
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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![CAS 80860-44-2 2-(((3aR,4R,6R,6aR)-6-(6-aMino-9H-purin-9-yl)-2,2-diMethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)Methyl)isoindoline-1,3-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/80860-44-2.gif)