CAS RN: 710348-42-8
2-oxo-2,3-dihydrobenzooxazole-5-boronic acid
- Product code: SSC-180720
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 | Beijing | Inquiry |
710348-42-8 / (2-oxo-3H-1,3-benzoxazol-5-yl)boronic acid
Basic Information
CAS
710348-42-8
Multi CAS
Yes
Molecular Formula
BC7H6NO4
Molecular Weight
178.940000
Exact Mass
179.038988
InChI
InChI=1S/C7H6BNO4/c10-7-9-5-3-4(8(11)12)1-2-6(5)13-7/h1-3,11-12H,(H,9,10)
InChIKey
WWGUKCACGZLIHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.66
TPSA
86.46
LogP / Solubility
WLOGP
-1.2
MLOGP
-1.06
XLogP3
-1.2
Consensus LogP
-1.15
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.66
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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