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CAS 1342892-16-3 2,4-diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrimidine molecular structure lightbox
CAS RN: 1342892-16-3

2,4-diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-041849
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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 1342892-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1342892-16-3 / 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

Standard CAS: 1342892-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1342892-16-3
Multi CAS
No
Molecular Formula
C28H27BN2O2
Molecular Weight
434.300000
Exact Mass
434.216558
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NC(=NC(=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H27BN2O2/c1-27(2)28(3,4)33-29(32-27)23-17-11-16-22(18-23)25-19-24(20-12-7-5-8-13-20)30-26(31-25)21-14-9-6-10-15-21/h5-19H,1-4H3
InChIKey
UYBYVPADSQWFRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
134.06
TPSA
44.24

LogP / Solubility

WLOGP
5.78
MLOGP
5.11
XLogP3
5.78
Consensus LogP
5.56
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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