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CAS 854778-30-6 2-Chloro-3-methoxyphenylboronic acid molecular structure lightbox
CAS RN: 854778-30-6

2-Chloro-3-methoxyphenylboronic acid

  • Product code: SSC-193892
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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: 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 854778-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g -- 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

854778-30-6 / (2-chloro-3-methoxyphenyl)boronic acid

Standard CAS: 854778-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854778-30-6
Multi CAS
No
Molecular Formula
C7H8BCLO3
Molecular Weight
186.400000
Exact Mass
186.025502
InChI
InChI=1S/C7H8BClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChIKey
ZDWONVAXOXYOJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.83
TPSA
49.69

LogP / Solubility

WLOGP
0.03
MLOGP
0.02
XLogP3
0.03
Consensus LogP
0.03
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.84

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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