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CAS 486422-54-2 4-(4-(tert-butoxycarbonyl)piperazin-1-ylsulfonyl)phenylboronic acid molecular structure lightbox
CAS RN: 486422-54-2

4-(4-(tert-butoxycarbonyl)piperazin-1-ylsulfonyl)phenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-155328
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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: 1g
  • Available purity: ＞97%
  • 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 486422-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

486422-54-2 / [4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylphenyl]boronic acid

Standard CAS: 486422-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
486422-54-2
Multi CAS
No
Molecular Formula
BC15H23N2O6S
Molecular Weight
370.200000
Exact Mass
370.136988
InChI
InChI=1S/C15H23BN2O6S/c1-15(2,3)24-14(19)17-8-10-18(11-9-17)25(22,23)13-6-4-12(5-7-13)16(20)21/h4-7,20-21H,8-11H2,1-3H3
InChIKey
BDIPQTYNHWWNDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
92.83
TPSA
107.38

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.32
XLogP3
-0.39
Consensus LogP
-0.37
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-5.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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