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CAS 486422-11-1 4-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid molecular structure lightbox
CAS RN: 486422-11-1

4-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS486422-11-1
  • Purity/Analytical Methods: >99.0%
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486422-11-1 / [4-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic acid

Standard CAS: 486422-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
486422-11-1
Multi CAS
No
Molecular Formula
BC11H17N2O4S
Molecular Weight
284.140000
Exact Mass
284.100208
InChI
InChI=1S/C11H17BN2O4S/c1-13-6-8-14(9-7-13)19(17,18)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3
InChIKey
WTIRVOVQNGLJIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
72.52
TPSA
81.08

LogP / Solubility

WLOGP
-1.7
MLOGP
-1.48
XLogP3
-1.7
Consensus LogP
-1.63
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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