CAS RN: 272773-11-2
3-Bromo-5-isoxazolecarboxylic acidmethylester
- Product code: SSC-126237
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 | Shenzhen | Inquiry |
272773-11-2 / methyl 3-bromo-1,2-oxazole-5-carboxylate
Basic Information
CAS
272773-11-2
Multi CAS
No
Molecular Formula
BC5H4O3Rn
Molecular Weight
205.990000
Exact Mass
204.937460
InChI
InChI=1S/C5H4BrNO3/c1-9-5(8)3-2-4(6)7-10-3/h2H,1H3
InChIKey
DEZOJAAMBSHBIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
35.54
TPSA
52.33
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.6
Consensus LogP
1.3
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.11
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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