CAS RN: 1111096-25-3
2-(5-BROMOFURAN-2-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
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.20260502 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-011985
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 | Beijing | Inquiry |
1111096-25-3 / 2-(5-bromofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(5-BROMOFURAN-2-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE | RefChem:458697 | 100-090-2
Basic Information
CAS
1111096-25-3
Multi CAS
No
Molecular Formula
C10H14BBrO3
Molecular Weight
272.930000
Exact Mass
272.021940
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)Br
InChI
InChI=1S/C10H14BBrO3/c1-9(2)10(3,4)15-11(14-9)7-5-6-8(12)13-7/h5-6H,1-4H3
InChIKey
UQPIQWGQNJWGTE-UHFFFAOYSA-N
Synonyms
2-(5-BROMOFURAN-2-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
RefChem:458697
100-090-2
5-Bromofuran-2-boronic acid pinacol ester
MFCD12405455
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.12
TPSA
31.6
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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