CAS RN: 149590-60-3
1,4-Benzenedicarboxylic acid, 2,5-bis(2-propen-1-yloxy)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-059570
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
149590-60-3 / 2,5-bis(prop-2-enoxy)terephthalic acid
Basic Information
CAS
149590-60-3
Multi CAS
No
Molecular Formula
C14H14O6
Molecular Weight
278.260000
Exact Mass
278.079038
SMILES
C=CCOC1=CC(=C(C=C1C(=O)O)OCC=C)C(=O)O
InChI
InChI=1S/C14H14O6/c1-3-5-19-11-7-10(14(17)18)12(20-6-4-2)8-9(11)13(15)16/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H,17,18)
InChIKey
XQJAVEMHUDLYIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.74
TPSA
93.06
LogP / Solubility
WLOGP
2.21
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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