[email protected]
CAS 1333375-02-2 “(E)-2-(4-(3,5-dichlorostyryl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane” molecular structure lightbox
CAS RN: 1333375-02-2

“(E)-2-(4-(3,5-dichlorostyryl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane”

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250208 100mg Out of stock Inquiry
Batchno.20251207 1g Out of stock Inquiry
Batchno.20251021 250mg Out of stock Inquiry
  • Product code: starshine_CAS1333375-02-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1333375-02-2 / 2-[4-[(E)-2-(3,5-dichlorophenyl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1333375-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1333375-02-2
Multi CAS
No
Molecular Formula
C20H21BCl2O2
Molecular Weight
375.100000
Exact Mass
374.101166
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)/C=C/C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H21BCl2O2/c1-19(2)20(3,4)25-21(24-19)16-9-7-14(8-10-16)5-6-15-11-17(22)13-18(23)12-15/h5-13H,1-4H3/b6-5+
InChIKey
QQAGHMVHZOMHPO-AATRIKPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
107.55
TPSA
18.46

LogP / Solubility

WLOGP
5.46
MLOGP
4.83
XLogP3
5.46
Consensus LogP
5.25
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
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
Yes
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us