[email protected]
CAS 2244251-87-2 2-(5-Bromo-[1,1′-biphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 2244251-87-2

2-(5-Bromo-[1,1′-biphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-109569
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2244251-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

2244251-87-2 / 2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 2244251-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2244251-87-2
Multi CAS
No
Molecular Formula
C18H20BBrO2
Molecular Weight
359.100000
Exact Mass
358.073970
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C18H20BBrO2/c1-17(2)18(3,4)22-19(21-17)15-10-14(11-16(20)12-15)13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKey
HVVGOHGOGLAJKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
95.29
TPSA
18.46

LogP / Solubility

WLOGP
4.42
MLOGP
3.9
XLogP3
4.42
Consensus LogP
4.25
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
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
Yes
Log Kp (skin permeation)
-1.78

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

Customers Also Viewed

Get In Touch

Contact Us