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CAS RN: 1401243-64-8
4-(Acryloyloxy)butyl 2,5-Dihydroxybenzoate
- Product code: SSC-050617
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, 1g, 5g, 10g, 0.1g
- Available purity: ≥97%
- 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 | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 0.1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1401243-64-8 / 4-prop-2-enoyloxybutyl 2,5-dihydroxybenzoate
Basic Information
CAS
1401243-64-8
Multi CAS
No
Molecular Formula
C14H16O6
Molecular Weight
280.270000
Exact Mass
280.094688
SMILES
C=CC(=O)OCCCCOC(=O)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C14H16O6/c1-2-13(17)19-7-3-4-8-20-14(18)11-9-10(15)5-6-12(11)16/h2,5-6,9,15-16H,1,3-4,7-8H2
InChIKey
ZLJOIMZFVJERRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.44
TPSA
93.06
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
2.8
Consensus LogP
2.04
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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