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CAS 850593-02-1 1-(4-BORONOBENZOYL)PIPERIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 850593-02-1

1-(4-BORONOBENZOYL)PIPERIDINE-4-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-193049
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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 850593-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

850593-02-1 / 1-(4-boronobenzoyl)piperidine-4-carboxylic acid

Standard CAS: 850593-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850593-02-1
Multi CAS
No
Molecular Formula
BC13H16NO5
Molecular Weight
277.080000
Exact Mass
277.112153
InChI
InChI=1S/C13H16BNO5/c16-12(9-1-3-11(4-2-9)14(19)20)15-7-5-10(6-8-15)13(17)18/h1-4,10,19-20H,5-8H2,(H,17,18)
InChIKey
URCVWENBDSHRDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
72.53
TPSA
98.07

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.6
XLogP3
-0.7
Consensus LogP
-0.67
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-4.9

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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