![CAS 1267629-05-9 5-amino-7-fluorobenzo[d]oxazol-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1267629-05-9.gif)
CAS RN: 1267629-05-9
5-amino-7-fluorobenzo[d]oxazol-2(3H)-one
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.20250401 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-033931
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 | Shanghai | Inquiry |
1267629-05-9 / 5-amino-7-fluoro-3H-1,3-benzoxazol-2-one
Basic Information
CAS
1267629-05-9
Multi CAS
No
Molecular Formula
C7H5FN2O2
Molecular Weight
168.120000
Exact Mass
168.033506
SMILES
C1=C(C=C(C2=C1NC(=O)O2)F)N
InChI
InChI=1S/C7H5FN2O2/c8-4-1-3(9)2-5-6(4)12-7(11)10-5/h1-2H,9H2,(H,10,11)
InChIKey
KHSFMCUKXDWJNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.21
TPSA
72.02
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.6
Consensus LogP
0.73
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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