CAS RN: 1204580-88-0
2-CyclopropylMethoxy-6-fluorophenylboronic acid pinacol ester
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.20250323 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-021468
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 | Shenzhen | Inquiry |
1204580-88-0 / 2-[2-(cyclopropylmethoxy)-6-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-Cyclopropylmethoxy-6-fluorophenylboronic acid pinacol ester | 2-(2-(Cyclopropylmethoxy)-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-[2-(cyclopropylmethoxy)-6-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1204580-88-0
Multi CAS
Yes
Molecular Formula
C16H22BFO3
Molecular Weight
292.200000
Exact Mass
292.164603
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2F)OCC3CC3
InChI
InChI=1S/C16H22BFO3/c1-15(2)16(3,4)21-17(20-15)14-12(18)6-5-7-13(14)19-10-11-8-9-11/h5-7,11H,8-10H2,1-4H3
InChIKey
NMJRKFWGMZDOPA-UHFFFAOYSA-N
Synonyms
2-Cyclopropylmethoxy-6-fluorophenylboronic acid pinacol ester
2-(2-(Cyclopropylmethoxy)-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-[2-(cyclopropylmethoxy)-6-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(2-Cyclopropylmethoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
MFCD13152002
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
80.34
TPSA
27.69
LogP / Solubility
WLOGP
2.91
MLOGP
2.58
XLogP3
2.91
Consensus LogP
2.8
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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