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CAS 1256355-44-8 3-(1-Pyrrolidinoethyl)phenylboronic acid molecular structure lightbox
CAS RN: 1256355-44-8

3-(1-Pyrrolidinoethyl)phenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-030441
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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: 5g
  • 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 1256355-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1256355-44-8 / [3-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid

Standard CAS: 1256355-44-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1256355-44-8
Multi CAS
No
Molecular Formula
C12H18BNO2
Molecular Weight
219.090000
Exact Mass
219.143059
SMILES
B(C1=CC(=CC=C1)C(C)N2CCCC2)(O)O
InChI
InChI=1S/C12H18BNO2/c1-10(14-7-2-3-8-14)11-5-4-6-12(9-11)13(15)16/h4-6,9-10,15-16H,2-3,7-8H2,1H3
InChIKey
OSQBDXBDCHOEAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.49
TPSA
43.7

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
0.52
Consensus LogP
0.5
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-3.68

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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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