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CAS 850567-34-9 3-(2-THIAZOLYL)AMINOCARBONYLPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 850567-34-9

3-(2-THIAZOLYL)AMINOCARBONYLPHENYLBORONIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-192987
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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 850567-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

850567-34-9 / [3-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid

Standard CAS: 850567-34-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850567-34-9
Multi CAS
No
Molecular Formula
BC10H9N2O3S
Molecular Weight
248.070000
Exact Mass
248.042694
InChI
InChI=1S/C10H9BN2O3S/c14-9(13-10-12-4-5-17-10)7-2-1-3-8(6-7)11(15)16/h1-6,15-16H,(H,12,13,14)
InChIKey
ORXREXRVDUFDBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
66.33
TPSA
82.45

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
0.08
Consensus LogP
0.08
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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