CAS RN: 88466-30-2
2-HYDROXY-3-PROPIONYL-BENZOIC ACID METHYL ESTER
- Product code: SSC-199168
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: 0.1g, 1g, 5g, 0.25g
- Available purity: ≥97%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 3 In Stock | Shanghai | Inquiry |
| 0.1g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 1g | -- | 2 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Beijing | Inquiry |
88466-30-2 / methyl 2-hydroxy-3-propanoylbenzoate
Basic Information
CAS
88466-30-2
Multi CAS
Yes
Molecular Formula
C11H12O4
Molecular Weight
208.210000
Exact Mass
208.073559
InChI
InChI=1S/C11H12O4/c1-3-9(12)7-5-4-6-8(10(7)13)11(14)15-2/h4-6,13H,3H2,1-2H3
InChIKey
UFGVWANOISVHGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.07
TPSA
63.6
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.73
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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