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CAS 1220968-24-0 Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate molecular structure lightbox
CAS RN: 1220968-24-0

Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1220968-24-0
  • Purity/Analytical Methods: >99.0%
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1220968-24-0 / ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate

Standard CAS: 1220968-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1220968-24-0
Multi CAS
No
Molecular Formula
C14H23BN2O4
Molecular Weight
294.160000
Exact Mass
294.175087
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)C(=O)OCC
InChI
InChI=1S/C14H23BN2O4/c1-7-19-12(18)10(2)17-9-11(8-16-17)15-20-13(3,4)14(5,6)21-15/h8-10H,7H2,1-6H3
InChIKey
ZOJGQOTZUPOALJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
79.29
TPSA
62.58

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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