![CAS 55453-89-9 BENZENE ACETIC ACID, 4-[(2-CARBOXYPHENYL)METHOXY] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55453-89-9.gif)
CAS RN: 55453-89-9
BENZENE ACETIC ACID, 4-[(2-CARBOXYPHENYL)METHOXY]
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 100g | In stock | Shenzhen, Tianjin | Inquiry |
| Batchno.20260404 | 1g | In stock | Shenzhen, Wuhan | Inquiry |
| Batchno.20250503 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20250618 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250429 | 5g | In stock | Tianjin | Inquiry |
- Product code: SSC-163378
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
55453-89-9 / 2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid
Basic Information
CAS
55453-89-9
Multi CAS
Yes
Molecular Formula
C16H14O5
Molecular Weight
286.280000
Exact Mass
286.084124
InChI
InChI=1S/C16H14O5/c17-15(18)9-11-5-7-13(8-6-11)21-10-12-3-1-2-4-14(12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey
BCYWXPITXHFIQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.52
TPSA
83.83
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
1.5
Consensus LogP
2.13
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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