CAS RN: 1209573-86-3
5-broMo-2-Methyl-1,3-oxazole-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-022299
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1209573-86-3 / 5-bromo-2-methyl-1,3-oxazole-4-carboxylic acid
5-Bromo-2-methyloxazole-4-carboxylic acid | 5-bromo-2-methyl-1,3-oxazole-4-carboxylic acid | MFCD09999146
Basic Information
CAS
1209573-86-3
Multi CAS
No
Molecular Formula
C5H4BrNO3
Molecular Weight
205.990000
Exact Mass
204.937460
SMILES
CC1=NC(=C(O1)Br)C(=O)O
InChI
InChI=1S/C5H4BrNO3/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9)
InChIKey
DYSCBFBGIQPIAS-UHFFFAOYSA-N
Synonyms
5-Bromo-2-methyloxazole-4-carboxylic acid
5-bromo-2-methyl-1,3-oxazole-4-carboxylic acid
MFCD09999146
SCHEMBL30295440
DTXSID30672017
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.9
TPSA
63.33
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.6
Consensus LogP
1.44
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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