CAS RN: 220438-80-2
(4-Carboxy-3-ethoxy)phenyl Acetic Acid (Repaglinide Impurity)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260414 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS220438-80-2
- Purity/Analytical Methods: >99.0%
220438-80-2 / 4-(carboxymethyl)-2-ethoxybenzoic acid
Basic Information
CAS
220438-80-2
Multi CAS
No
Molecular Formula
C11H12O5
Molecular Weight
224.210000
Exact Mass
224.068473
SMILES
CCOC1=C(C=CC(=C1)CC(=O)O)C(=O)O
InChI
InChI=1S/C11H12O5/c1-2-16-9-5-7(6-10(12)13)3-4-8(9)11(14)15/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15)
InChIKey
PRZWZRNYTRQDLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.91
TPSA
83.83
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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