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CAS 1006876-27-2 N,N-diMethyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)picolinaMide molecular structure lightbox
CAS RN: 1006876-27-2

N,N-diMethyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)picolinaMide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260606 1g In stock Shanghai Inquiry
Batchno.20250922 250mg In stock Shanghai Inquiry
Batchno.20250310 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-001353
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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: 5g
  • 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 1006876-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1006876-27-2 / N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide

N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide | DTXSID60726158 | N,N-DIMETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINECARBOXAMIDE

Standard CAS: 1006876-27-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1006876-27-2
Multi CAS
Yes
Molecular Formula
C14H21BN2O3
Molecular Weight
276.140000
Exact Mass
276.164523
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(=O)N(C)C
InChI
InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-7-8-11(16-9-10)12(18)17(5)6/h7-9H,1-6H3
InChIKey
RNCGUUHRBRONRG-UHFFFAOYSA-N
Synonyms
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide DTXSID60726158 N,N-DIMETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINECARBOXAMIDE RefChem:822501 DTXCID20676903

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
77.97
TPSA
51.66

LogP / Solubility

WLOGP
1.08
MLOGP
0.96
XLogP3
1.08
Consensus LogP
1.04
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-3.64

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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