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CAS 1083326-75-3 N-[2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-PYRIDINYL]-METHANESULFONAMIDE molecular structure lightbox
CAS RN: 1083326-75-3

N-[2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-PYRIDINYL]-METHANESULFONAMIDE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 100mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260503 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250819 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250507 5g Out of stock Inquiry
  • Product code: starshine_CAS1083326-75-3
  • Purity/Analytical Methods: >99.0%
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1083326-75-3 / N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide

N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide | MFCD12964555 | N-[2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-PYRIDINYL]-METHANESULFONAMIDE

Standard CAS: 1083326-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1083326-75-3
Multi CAS
No
Molecular Formula
C13H21BN2O5S
Molecular Weight
328.200000
Exact Mass
328.126423
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)NS(=O)(=O)C
InChI
InChI=1S/C13H21BN2O5S/c1-12(2)13(3,4)21-14(20-12)9-7-10(16-22(6,17)18)11(19-5)15-8-9/h7-8,16H,1-6H3
InChIKey
NLKPUGUGRJNIMU-UHFFFAOYSA-N
Synonyms
N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide MFCD12964555 N-[2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-PYRIDINYL]-METHANESULFONAMIDE N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanesulfonamide C13H21BN2O5S

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
84.97
TPSA
86.75

LogP / Solubility

WLOGP
0.76
MLOGP
0.68
XLogP3
0.76
Consensus LogP
0.73
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.18

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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