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CAS 2621936-17-0 1,3,2-Dioxaborolane, 2-[8-fluoro-3-(methoxymethoxy)-1-naphthalenyl]-4,4,5,5-tetramethyl- molecular structure lightbox
CAS RN: 2621936-17-0

1,3,2-Dioxaborolane, 2-[8-fluoro-3-(methoxymethoxy)-1-naphthalenyl]-4,4,5,5-tetramethyl-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-123419
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2621936-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2621936-17-0 / 2-[8-fluoro-3-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 2621936-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2621936-17-0
Multi CAS
No
Molecular Formula
C18H22BFO4
Molecular Weight
332.200000
Exact Mass
332.159518
InChI
InChI=1S/C18H22BFO4/c1-17(2)18(3,4)24-19(23-17)14-10-13(22-11-21-5)9-12-7-6-8-15(20)16(12)14/h6-10H,11H2,1-5H3
InChIKey
ZNILIZKHABSQHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
92.13
TPSA
36.92

LogP / Solubility

WLOGP
3.26
MLOGP
2.89
XLogP3
3.26
Consensus LogP
3.14
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
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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