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CAS 850567-24-7 3-(CYCLOPENTYLAMINOCARBONYL)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 850567-24-7

3-(CYCLOPENTYLAMINOCARBONYL)PHENYLBORONIC ACID

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260626 1g In stock Shanghai, Shandong Inquiry
Batchno.20260225 200mg In stock Shanghai Inquiry
Batchno.20260311 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-192984
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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 850567-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

850567-24-7 / [3-(cyclopentylcarbamoyl)phenyl]boronic acid

Standard CAS: 850567-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850567-24-7
Multi CAS
No
Molecular Formula
BC12H16NO3
Molecular Weight
233.070000
Exact Mass
233.122324
InChI
InChI=1S/C12H16BNO3/c15-12(14-11-6-1-2-7-11)9-4-3-5-10(8-9)13(16)17/h3-5,8,11,16-17H,1-2,6-7H2,(H,14,15)
InChIKey
KIOBFDGZJVJNBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
65.99
TPSA
69.56

LogP / Solubility

WLOGP
0.04
MLOGP
0.04
XLogP3
0.04
Consensus LogP
0.04
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.11

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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