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CAS 888950-09-2 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(4-PYRENYL)- molecular structure lightbox
CAS RN: 888950-09-2

1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(4-PYRENYL)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260323 250mg Out of stock Inquiry
  • Product code: SSC-200611
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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: 0.25g
  • 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 888950-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

888950-09-2 / 4,4,5,5-tetramethyl-2-pyren-4-yl-1,3,2-dioxaborolane

Standard CAS: 888950-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
888950-09-2
Multi CAS
No
Molecular Formula
BC22H21O2
Molecular Weight
328.200000
Exact Mass
328.163460
InChI
InChI=1S/C22H21BO2/c1-21(2)22(3,4)25-23(24-21)18-13-16-9-5-7-14-11-12-15-8-6-10-17(18)20(15)19(14)16/h5-13H,1-4H3
InChIKey
REWLNMNYLWTBFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
105.86
TPSA
18.46

LogP / Solubility

WLOGP
4.88
MLOGP
4.31
XLogP3
4.88
Consensus LogP
4.69
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-1.26

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
3.5

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