![CAS 1053656-27-1 Ethyl5-(4-bromophenyl)-[1,2,4]oxadiazole-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-27-1.gif)
CAS RN: 1053656-27-1
Ethyl5-(4-bromophenyl)-[1,2,4]oxadiazole-3-carboxylate
- Product code: SSC-007112
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 | Hong Kong | Inquiry |
1053656-27-1 / ethyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate
Ethyl 5-(4-bromophenyl)-[1,2,4]oxadiazole-3-carboxylate | ethyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate | MFCD10568214
Basic Information
CAS
1053656-27-1
Multi CAS
No
Molecular Formula
C11H9BrN2O3
Molecular Weight
297.100000
Exact Mass
295.979650
SMILES
CCOC(=O)C1=NOC(=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H9BrN2O3/c1-2-16-11(15)9-13-10(17-14-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChIKey
OHBACUKJDQPIHR-UHFFFAOYSA-N
Synonyms
Ethyl 5-(4-bromophenyl)-[1,2,4]oxadiazole-3-carboxylate
ethyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate
MFCD10568214
AKOS012685880
AS-5040
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
63.39
TPSA
65.22
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
3
Consensus LogP
2.68
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
- CAS RN: 1053656-29-3
- Product Code: starshine_CAS1053656-29-3
- Purity/Analytical method: >99.0%
-
ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate
- CAS RN: 1053656-33-9
- Product Code: SSC-007113
-
methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
- CAS RN: 1053656-37-3
- Product Code: SSC-007115
-
5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
- CAS RN: 1053656-51-1
- Product Code: SSC-007116
-
ethyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate
- CAS RN: 1053656-54-4
- Product Code: SSC-007117
-
4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester
- CAS RN: 1053656-57-7
- Product Code: SSC-007118
![CAS 1053656-33-9 ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-33-9.gif)
![CAS 1053656-37-3 methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-37-3.gif)
![CAS 1053656-51-1 5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-51-1.gif)
![CAS 1053656-57-7 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-57-7.gif)