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CAS 1063712-34-4 2-Chloro-4-formylphenylboronic acid molecular structure lightbox
CAS RN: 1063712-34-4

2-Chloro-4-formylphenylboronic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250408 1g In stock Inquiry
Batchno.20250327 250mg In stock Inquiry
Batchno.20250813 5g In stock Inquiry
  • Product code: SSC-008056
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 1063712-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Beijing Inquiry
0.25g >98% 2 In Stock Hong Kong Inquiry
1g >98% 2 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry
10g >98% 1 In Stock Shenzhen Inquiry
25g >98% 1 In Stock Beijing Inquiry

1063712-34-4 / (2-chloro-4-formylphenyl)boronic acid

(2-Chloro-4-formylphenyl)boronic acid | 2-CHLORO-4-FORMYLPHENYLBORONIC ACID | MFCD18311828

Standard CAS: 1063712-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1063712-34-4
Multi CAS
No
Molecular Formula
C7H6BClO3
Molecular Weight
184.390000
Exact Mass
184.009852
SMILES
B(C1=C(C=C(C=C1)C=O)Cl)(O)O
InChI
InChI=1S/C7H6BClO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4,11-12H
InChIKey
TYNMABPNFSBKDN-UHFFFAOYSA-N
Synonyms
(2-Chloro-4-formylphenyl)boronic acid 2-CHLORO-4-FORMYLPHENYLBORONIC ACID MFCD18311828 SCHEMBL20995183 SCHEMBL30803650

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.67
TPSA
57.53

LogP / Solubility

WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.17
Consensus LogP
-0.16
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.96

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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