CAS RN: 682804-10-0
3-AMINO-3-(2,4-DIHYDROXY-PHENYL)-PROPIONIC ACID
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.20251218 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-178001
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g, 1g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 4 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
682804-10-0 / 3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
Basic Information
CAS
682804-10-0
Multi CAS
No
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
InChI
InChI=1S/C9H11NO4/c10-7(4-9(13)14)6-2-1-5(11)3-8(6)12/h1-3,7,11-12H,4,10H2,(H,13,14)
InChIKey
SLASMFLPYYVGRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
48.95
TPSA
103.78
LogP / Solubility
WLOGP
0.57
MLOGP
0.5
XLogP3
-2.1
Consensus LogP
-0.34
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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