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CAS 265664-52-6 CHEMBRDG-BB 4012533 molecular structure lightbox
CAS RN: 265664-52-6

CHEMBRDG-BB 4012533

  • Product code: SSC-124587
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 265664-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

265664-52-6 / [4-(2-methoxyethoxy)phenyl]boronic acid

Standard CAS: 265664-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265664-52-6
Multi CAS
No
Molecular Formula
C9H13BO4
Molecular Weight
196.010000
Exact Mass
196.090689
SMILES
B(C1=CC=C(C=C1)OCCOC)(O)O
InChI
InChI=1S/C9H13BO4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h2-5,11-12H,6-7H2,1H3
InChIKey
ODKMFCPXFMQWHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.64
TPSA
58.92

LogP / Solubility

WLOGP
-0.61
MLOGP
-0.54
XLogP3
-0.61
Consensus LogP
-0.59
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-4.35

Drug-likeness / Medicinal Chemistry

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

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