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CAS 1426246-59-4 3-Chloro-4-morpholinophenylboronic acid molecular structure lightbox
CAS RN: 1426246-59-4

3-Chloro-4-morpholinophenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-053420
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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
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1426246-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry

1426246-59-4 / (3-chloro-4-morpholin-4-ylphenyl)boronic acid

Standard CAS: 1426246-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426246-59-4
Multi CAS
No
Molecular Formula
C10H13BClNO3
Molecular Weight
241.480000
Exact Mass
241.067701
SMILES
B(C1=CC(=C(C=C1)N2CCOCC2)Cl)(O)O
InChI
InChI=1S/C10H13BClNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7,14-15H,3-6H2
InChIKey
MLYNSBCEZWQQEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.31
TPSA
52.93

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-4.3

Drug-likeness / Medicinal Chemistry

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

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