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CAS 1256358-89-0 2-tert-butoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine molecular structure lightbox
CAS RN: 1256358-89-0

2-tert-butoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1256358-89-0
  • Purity/Analytical Methods: >99.0%
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1256358-89-0 / 2-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Standard CAS: 1256358-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256358-89-0
Multi CAS
No
Molecular Formula
C15H24BNO3
Molecular Weight
277.170000
Exact Mass
277.184924
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)OC(C)(C)C
InChI
InChI=1S/C15H24BNO3/c1-13(2,3)18-12-10-11(8-9-17-12)16-19-14(4,5)15(6,7)20-16/h8-10H,1-7H3
InChIKey
NJSUTJJMQXIVLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
80.33
TPSA
40.58

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.59

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
1.5

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