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CAS 2377611-82-8 4-Chloro-2-(4-methoxybenzyloxy)phenylboronic acid molecular structure lightbox
CAS RN: 2377611-82-8

4-Chloro-2-(4-methoxybenzyloxy)phenylboronic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 100mg / 250mg / 1g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS2377611-82-8
  • Purity/Analytical Methods: >99.0%
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2377611-82-8 / [4-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]boronic acid

Standard CAS: 2377611-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2377611-82-8
Multi CAS
No
Molecular Formula
C14H14BClO4
Molecular Weight
292.520000
Exact Mass
292.067367
InChI
InChI=1S/C14H14BClO4/c1-19-12-5-2-10(3-6-12)9-20-14-8-11(16)4-7-13(14)15(17)18/h2-8,17-18H,9H2,1H3
InChIKey
IPLLLSWUSGOSLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.6
TPSA
58.92

LogP / Solubility

WLOGP
1.61
MLOGP
1.43
XLogP3
1.61
Consensus LogP
1.55
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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