CAS RN: 91842-53-4
10-phenyl-3,6,9-trioxadecanoic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250529 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-205294
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, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
91842-53-4 / 2-[2-(2-phenylmethoxyethoxy)ethoxy]acetic acid
Basic Information
CAS
91842-53-4
Multi CAS
No
Molecular Formula
C13H18O5
Molecular Weight
254.280000
Exact Mass
254.115424
InChI
InChI=1S/C13H18O5/c14-13(15)11-18-9-7-16-6-8-17-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,14,15)
InChIKey
JCPUGBBSZRZZNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.37
TPSA
64.99
LogP / Solubility
WLOGP
1.32
MLOGP
1.17
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.61
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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