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CAS 756520-78-2 2-(Methanesulfonylamino)phenylboronic acid molecular structure lightbox
CAS RN: 756520-78-2

2-(Methanesulfonylamino)phenylboronic acid

  • Product code: SSC-185092
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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: ≥95%
  • 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 756520-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

756520-78-2 / [2-(methanesulfonamido)phenyl]boronic acid

Standard CAS: 756520-78-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
756520-78-2
Multi CAS
Yes
Molecular Formula
BC7H10NO4S
Molecular Weight
215.040000
Exact Mass
215.042359
InChI
InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9-11H,1H3
InChIKey
RPRMOEFOTPSWBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.73
TPSA
86.63

LogP / Solubility

WLOGP
-1.26
MLOGP
-1.11
XLogP3
-1.26
Consensus LogP
-1.21
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-4.93

Drug-likeness / Medicinal Chemistry

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

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