CAS RN: 745055-24-7
3-(3-(4-(2-methoxyethoxy)phenyl)-1,2,4-oxadiazol-5-yl)benzoic acid
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250109 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS745055-24-7
- Purity/Analytical Methods: >99.0%
745055-24-7 / 3-[3-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
Basic Information
CAS
745055-24-7
Multi CAS
No
Molecular Formula
C18H16N2O5
Molecular Weight
340.300000
Exact Mass
340.105922
InChI
InChI=1S/C18H16N2O5/c1-23-9-10-24-15-7-5-12(6-8-15)16-19-17(25-20-16)13-3-2-4-14(11-13)18(21)22/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKey
GHZLPZGBHDIIPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
89.5
TPSA
94.68
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
2.8
Consensus LogP
2.9
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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