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CAS 914610-50-7 4-(N-CYCLOPROPYLSULFONAMIDE)PHENYLBORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 914610-50-7

4-(N-CYCLOPROPYLSULFONAMIDE)PHENYLBORONIC ACID PINACOL ESTER

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260225 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250321 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251006 25g Out of stock Inquiry
Batchno.20250812 5g Out of stock Inquiry
  • Product code: starshine_CAS914610-50-7
  • Purity/Analytical Methods: >99.0%
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914610-50-7 / N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

Standard CAS: 914610-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914610-50-7
Multi CAS
No
Molecular Formula
BC15H22NO4S
Molecular Weight
323.200000
Exact Mass
323.136260
InChI
InChI=1S/C15H22BNO4S/c1-14(2)15(3,4)21-16(20-14)11-5-9-13(10-6-11)22(18,19)17-12-7-8-12/h5-6,9-10,12,17H,7-8H2,1-4H3
InChIKey
ASFBWQXCZSUHRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.5
TPSA
64.63

LogP / Solubility

WLOGP
1.43
MLOGP
1.27
XLogP3
1.43
Consensus LogP
1.38
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-3.68

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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