CAS RN: 25877-46-7
4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25877-46-7
- Purity/Analytical Methods: >99.0%
25877-46-7 / 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol
Basic Information
CAS
25877-46-7
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
CC1=NN=C(O1)C2=CC=C(C=C2)O
InChI
InChI=1S/C9H8N2O2/c1-6-10-11-9(13-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3
InChIKey
ZGERZQXLBGWDCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.14
TPSA
59.15
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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