CAS RN: 1120271-16-0
5-(2-Chlorophenyl)-3-methyl-1,2,4-oxadiazole
- Product code: SSC-012555
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1120271-16-0 / 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole | MFCD13961846 | SCHEMBL10094739
Basic Information
CAS
1120271-16-0
Multi CAS
No
Molecular Formula
C9H7ClN2O
Molecular Weight
194.620000
Exact Mass
194.024691
SMILES
CC1=NOC(=N1)C2=CC=CC=C2Cl
InChI
InChI=1S/C9H7ClN2O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,1H3
InChIKey
MCPVXAZQISPZJO-UHFFFAOYSA-N
Synonyms
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
MFCD13961846
SCHEMBL10094739
BS-30114
SY477524
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.48
TPSA
38.92
LogP / Solubility
WLOGP
2.7
MLOGP
2.37
XLogP3
2.8
Consensus LogP
2.62
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-1.99
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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