CAS RN: 1380300-65-1
Ethyl 3-cyclobutyl-1,2,4-oxadiazole-5-carboxylate
- Product code: SSC-047999
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 | Beijing | Inquiry |
1380300-65-1 / ethyl 3-cyclobutyl-1,2,4-oxadiazole-5-carboxylate
Basic Information
CAS
1380300-65-1
Multi CAS
No
Molecular Formula
C9H12N2O3
Molecular Weight
196.200000
Exact Mass
196.084792
SMILES
CCOC(=O)C1=NC(=NO1)C2CCC2
InChI
InChI=1S/C9H12N2O3/c1-2-13-9(12)8-10-7(11-14-8)6-4-3-5-6/h6H,2-5H2,1H3
InChIKey
KTIKEYSHNDRWFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
46.85
TPSA
65.22
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.8
Consensus LogP
1.55
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1380300-72-0 2-methyl-2,8-diazaspiro[4.5]decan-3-one hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-methyl-2,8-diazaspiro[4.5]decan-3-one hydrochloride
- CAS RN: 1380300-72-0
- Product Code: SSC-048000
-
4,4-Difluoro-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
- CAS RN: 1380300-79-7
- Product Code: SSC-048001
-
3-oxa-9-azaspiro[5.5]undecane(SALTDATA: FREE) Hydrochloride
- CAS RN: 1380300-88-8
- Product Code: SSC-048002
-
(1-(3-HYDROXY-2,2-DIMETHYLPROPYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER
- CAS RN: 1380307-35-6
- Product Code: SSC-048004
-
Chloro[(1,2,3-η)-1-phenyl-2-propen-1-yl]-{[1,3-bis[2,6-bis(diphenylmethyl)-4-methylphenyl]-2H-imidazol-2-ylidene}palladium(II), min. 97%
- CAS RN: 1380314-24-8
- Product Code: SSC-048005
-
5-Azido-1-pentanamine HCl
- CAS RN: 1380314-89-5
- Product Code: starshine_CAS1380314-89-5
- Purity/Analytical method: >99.0%
![CAS 1380300-72-0 2-methyl-2,8-diazaspiro[4.5]decan-3-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72534137(1).gif)
.gif)
![CAS 1380300-88-8 3-oxa-9-azaspiro[5.5]undecane(SALTDATA: FREE) Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72745175(1).gif)
![CAS 1380314-24-8 Chloro[(1,2,3-η)-1-phenyl-2-propen-1-yl]-{[1,3-bis[2,6-bis(diphenylmethyl)-4-methylphenyl]-2H-imidazol-2-ylidene}palladium(II), min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380314-24-8.gif)
