CAS RN: 127919-32-8
ETHYL 5-(4′-BROMOPHENYL)-1,3-OXAZOLE-4-CARBOXYLATE
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.20250219 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS127919-32-8
- Purity/Analytical Methods: >99.0%
127919-32-8 / ethyl 5-(4-bromophenyl)-1,3-oxazole-4-carboxylate
Basic Information
CAS
127919-32-8
Multi CAS
No
Molecular Formula
C12H10BrNO3
Molecular Weight
296.120000
Exact Mass
294.984410
SMILES
CCOC(=O)C1=C(OC=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H10BrNO3/c1-2-16-12(15)10-11(17-7-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKey
IFMPSXDSMLDCNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
65.6
TPSA
52.33
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
3.2
Consensus LogP
3.13
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
1H-Pyrazole-3-carboxylic acid, 4-(4-fluorophenyl)-, ethyl ester
- CAS RN: 127919-73-7
- Product Code: starshine_CAS127919-73-7
-
N-(t-butoxycarbonyl)-1-carboxy-2-azabicyclo[2.1.1]hexane
- CAS RN: 127926-24-3
- Product Code: SSC-035296
-
Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate
- CAS RN: 127956-11-0
- Product Code: SSC-035299
-
-
-
“4-Isopropyl-2-methyl-pyrimidine-5-carboxylic acid”
- CAS RN: 127958-08-1
- Product Code: SSC-035305
![CAS 127926-24-3 N-(t-butoxycarbonyl)-1-carboxy-2-azabicyclo[2.1.1]hexane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127926-24-3.gif)
