CAS RN: 2107-70-2
3-(3,4-Dimethoxyphenyl)propionic Acid
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250402 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251109 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250713 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260510 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260414 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-100415
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: 5g, 10g, 25g, 100g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 4 In Stock | Shanghai | Inquiry |
| 10g | -- | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
2107-70-2 / 3-(3,4-dimethoxyphenyl)propanoic acid
Basic Information
CAS
2107-70-2
Multi CAS
No
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
SMILES
COC1=C(C=C(C=C1)CCC(=O)O)OC
InChI
InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKey
LHHKQWQTBCTDQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.5
TPSA
55.76
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >97.0%(GC)(T)
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