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CAS 1092563-60-4 N-(2-(diMethylaMino)ethyl)-N-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)picolinaMide molecular structure lightbox
CAS RN: 1092563-60-4

N-(2-(diMethylaMino)ethyl)-N-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)picolinaMide

  • Product code: SSC-010480
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1092563-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1092563-60-4 / N-[2-(dimethylamino)ethyl]-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide

N-(2-(dimethylamino)ethyl)-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide | N-[2-(dimethylamino)ethyl]-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide | MFCD13191340

Standard CAS: 1092563-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092563-60-4
Multi CAS
No
Molecular Formula
C17H28BN3O3
Molecular Weight
333.200000
Exact Mass
333.222372
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(=O)N(C)CCN(C)C
InChI
InChI=1S/C17H28BN3O3/c1-16(2)17(3,4)24-18(23-16)13-8-9-14(19-12-13)15(22)21(7)11-10-20(5)6/h8-9,12H,10-11H2,1-7H3
InChIKey
WIRWGFIDNRFLER-UHFFFAOYSA-N
Synonyms
N-(2-(dimethylamino)ethyl)-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide N-[2-(dimethylamino)ethyl]-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide MFCD13191340 2-Pyridinecarboxamide, n-[2-(dimethylamino)ethyl]-n-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- SCHEMBL9886001

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
95.47
TPSA
54.9

LogP / Solubility

WLOGP
1.01
MLOGP
0.91
XLogP3
1.01
Consensus LogP
0.98
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03

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
2.5

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