CAS RN: 1313738-69-0
3,5-Difluoro-4-Morpholinophenylboronic 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.20250513 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-038192
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1313738-69-0 / 4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
Basic Information
CAS
1313738-69-0
Multi CAS
No
Molecular Formula
C16H22BF2NO3
Molecular Weight
325.200000
Exact Mass
325.166080
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)N3CCOCC3)F
InChI
InChI=1S/C16H22BF2NO3/c1-15(2)16(3,4)23-17(22-15)11-9-12(18)14(13(19)10-11)20-5-7-21-8-6-20/h9-10H,5-8H2,1-4H3
InChIKey
DXHKMVVLQQJTIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
85.11
TPSA
30.93
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
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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