CAS RN: 2454397-77-2
1,3,2-Dioxaborolane, 2-(8-chloro-7-fluoro-1-naphthalenyl)-4,4,5,5-tetramethyl-
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.20250906 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-119255
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2454397-77-2 / 2-(8-chloro-7-fluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2454397-77-2
Multi CAS
No
Molecular Formula
C16H17BClFO2
Molecular Weight
306.600000
Exact Mass
306.099416
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CC(=C3Cl)F
InChI
InChI=1S/C16H17BClFO2/c1-15(2)16(3,4)21-17(20-15)11-7-5-6-10-8-9-12(19)14(18)13(10)11/h5-9H,1-4H3
InChIKey
MZNNURGZZLEDIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
84.63
TPSA
18.46
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
3.93
Consensus LogP
3.78
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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