[email protected]
CAS 475250-49-8 2-(4-chlorobenzyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 475250-49-8

2-(4-chlorobenzyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

  • Product code: SSC-154502
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 475250-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 3 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shanghai Inquiry
10g >97% 3 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry

475250-49-8 / 2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 475250-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
475250-49-8
Multi CAS
No
Molecular Formula
C13H18BCLO2
Molecular Weight
252.550000
Exact Mass
252.108838
InChI
InChI=1S/C13H18BClO2/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChIKey
JDACVUOXXNUDGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.24
TPSA
18.46

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
3.51
Consensus LogP
3.37
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us