CAS RN: 215162-34-8
1,3,5-Tris(carboxyMethoxy)benzene
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260509 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260323 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260622 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250117 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS215162-34-8
- Purity/Analytical Methods: >99.0%
215162-34-8 / 2-[3,5-bis(carboxymethoxy)phenoxy]acetic acid
Basic Information
CAS
215162-34-8
Multi CAS
No
Molecular Formula
C12H12O9
Molecular Weight
300.220000
Exact Mass
300.048132
SMILES
C1=C(C=C(C=C1OCC(=O)O)OCC(=O)O)OCC(=O)O
InChI
InChI=1S/C12H12O9/c13-10(14)4-19-7-1-8(20-5-11(15)16)3-9(2-7)21-6-12(17)18/h1-3H,4-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
OMPLWOKOQNOVCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
65.83
TPSA
139.59
LogP / Solubility
WLOGP
0.08
MLOGP
0.08
XLogP3
0.6
Consensus LogP
0.25
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-4.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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