![CAS 1196155-00-6 5-bromo-2-methyloxazolo[4,5-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196155-00-6.gif)
CAS RN: 1196155-00-6
5-bromo-2-methyloxazolo[4,5-b]pyridine
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.20260328 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1196155-00-6
- Purity/Analytical Methods: >99.0%
1196155-00-6 / 5-bromo-2-methyl-[1,3]oxazolo[4,5-b]pyridine
5-bromo-2-methyl-[1,3]oxazolo[4,5-b]pyridine | 5-Bromo-2-methyl-(1,3)oxazolo(4,5-b)pyridine | RefChem:533316
Basic Information
CAS
1196155-00-6
Multi CAS
No
Molecular Formula
C7H5BrN2O
Molecular Weight
213.030000
Exact Mass
211.958530
SMILES
CC1=NC2=C(O1)C=CC(=N2)Br
InChI
InChI=1S/C7H5BrN2O/c1-4-9-7-5(11-4)2-3-6(8)10-7/h2-3H,1H3
InChIKey
XXXLGAPIEGAEQL-UHFFFAOYSA-N
Synonyms
5-bromo-2-methyl-[1,3]oxazolo[4,5-b]pyridine
5-Bromo-2-methyl-(1,3)oxazolo(4,5-b)pyridine
RefChem:533316
819-480-5
5-BROMO-2-METHYLOXAZOLO[4,5-B]PYRIDINE
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
44.24
TPSA
38.92
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1196155-05-1 tert-Butyl 3-amino-6-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-Butyl 3-amino-6-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
- CAS RN: 1196155-05-1
- Product Code: SSC-020250
-
tert-butyl 3-amino-6-isopropyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
- CAS RN: 1196155-07-3
- Product Code: SSC-020251
-
-
-
-
![CAS 1196155-05-1 tert-Butyl 3-amino-6-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196155-05-1.gif)
![CAS 1196155-07-3 tert-butyl 3-amino-6-isopropyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196155-07-3.gif)
![CAS 1196155-15-3 6-bromo-2H-pyrano[2,3-b]pyridin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196155-15-3.gif)
