[email protected]
CAS 1062555-59-2 4,4,5,5-TetraMethyl-2-(2-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1062555-59-2

4,4,5,5-TetraMethyl-2-(2-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251019 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250716 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260616 1g Out of stock Inquiry
Batchno.20250121 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20250715 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS1062555-59-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1062555-59-2 / 4,4,5,5-tetramethyl-2-(2-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(2-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane | MFCD22421637 | 4,4,5,5-Tetramethyl-2-[2-(naphthalen-2-yl)phenyl]-1,3,2-dioxaborolane

Standard CAS: 1062555-59-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1062555-59-2
Multi CAS
No
Molecular Formula
C22H23BO2
Molecular Weight
330.200000
Exact Mass
330.179110
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H23BO2/c1-21(2)22(3,4)25-23(24-21)20-12-8-7-11-19(20)18-14-13-16-9-5-6-10-17(16)15-18/h5-15H,1-4H3
InChIKey
LIBLLUMMNMOCMY-UHFFFAOYSA-N
Synonyms
4,4,5,5-Tetramethyl-2-(2-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane MFCD22421637 4,4,5,5-Tetramethyl-2-[2-(naphthalen-2-yl)phenyl]-1,3,2-dioxaborolane 4,4,5,5-tetramethyl-2-(2-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane SCHEMBL12560678

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
105.1
TPSA
18.46

LogP / Solubility

WLOGP
4.81
MLOGP
4.24
XLogP3
4.81
Consensus LogP
4.62
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

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)
-1.32

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

Customers Also Viewed

Get In Touch

Contact Us