[email protected]
CAS 1430751-10-2 1-(2-Bromobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole molecular structure lightbox
CAS RN: 1430751-10-2

1-(2-Bromobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINB905461
GET A QUOTE

1430751-10-2 / 1-[(2-bromophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Standard CAS: 1430751-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1430751-10-2
Multi CAS
No
Molecular Formula
C16H20BBrN2O2
Molecular Weight
363.100000
Exact Mass
362.080120
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CC=C3Br
InChI
InChI=1S/C16H20BBrN2O2/c1-15(2)16(3,4)22-17(21-15)13-9-19-20(11-13)10-12-7-5-6-8-14(12)18/h5-9,11H,10H2,1-4H3
InChIKey
DSFLJQAALJOSCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
91.19
TPSA
36.28

LogP / Solubility

WLOGP
2.99
MLOGP
2.65
XLogP3
2.99
Consensus LogP
2.88
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81

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