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CAS 279262-19-0 4-(2-Morpholinoethoxy)phenylboronic acid molecular structure lightbox
CAS RN: 279262-19-0

4-(2-Morpholinoethoxy)phenylboronic acid

  • Product code: SSC-128444
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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 279262-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

279262-19-0 / [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid

Standard CAS: 279262-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
279262-19-0
Multi CAS
No
Molecular Formula
C12H18BNO4
Molecular Weight
251.090000
Exact Mass
251.132888
SMILES
B(C1=CC=C(C=C1)OCCN2CCOCC2)(O)O
InChI
InChI=1S/C12H18BNO4/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14/h1-4,15-16H,5-10H2
InChIKey
RCUWZKVTDDDVET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.02
TPSA
62.16

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.81
XLogP3
-0.92
Consensus LogP
-0.88
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.91

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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