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CAS 2225170-62-5 2-Methoxy-4-(4-methylpiperazin-1-yl)phenylboronic acid molecular structure lightbox
CAS RN: 2225170-62-5

2-Methoxy-4-(4-methylpiperazin-1-yl)phenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260519 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-107187
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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: 0.1g, 0.25g
  • 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 2225170-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

2225170-62-5 / [2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methanediol

Standard CAS: 2225170-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2225170-62-5
Multi CAS
No
Molecular Formula
C13H20N2O3
Molecular Weight
252.310000
Exact Mass
252.147393
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)C(O)O)OC
InChI
InChI=1S/C13H20N2O3/c1-14-5-7-15(8-6-14)10-3-4-11(13(16)17)12(9-10)18-2/h3-4,9,13,16-17H,5-8H2,1-2H3
InChIKey
QNHSZWHAAOUKDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.88
TPSA
56.17

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
XLogP3
0.4
Consensus LogP
0.4
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.95

Drug-likeness / Medicinal Chemistry

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

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