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CAS 1201644-42-9 N,N-diMethyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)nicotinaMide molecular structure lightbox
CAS RN: 1201644-42-9

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

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260618 100mg In stock Shanghai Inquiry
Batchno.20250506 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250225 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251215 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1201644-42-9
  • Purity/Analytical Methods: >99.0%
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1201644-42-9 / N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide

N,N-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide | RefChem:822504 | 834-331-4

Standard CAS: 1201644-42-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1201644-42-9
Multi CAS
No
Molecular Formula
C14H21BN2O3
Molecular Weight
276.140000
Exact Mass
276.164523
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(=O)N(C)C
InChI
InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)11-7-10(8-16-9-11)12(18)17(5)6/h7-9H,1-6H3
InChIKey
ZUFJKKGQYIZCPE-UHFFFAOYSA-N
Synonyms
N,N-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide RefChem:822504 834-331-4 N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinamide N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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