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CAS 1310384-22-5 2-Benzyloxy-5-forMylphenylboronic acid molecular structure lightbox
CAS RN: 1310384-22-5

2-Benzyloxy-5-forMylphenylboronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 1g / 5g / 25g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS1310384-22-5
  • Purity/Analytical Methods: >99.0%
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1310384-22-5 / (5-formyl-2-phenylmethoxyphenyl)boronic acid

Standard CAS: 1310384-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1310384-22-5
Multi CAS
No
Molecular Formula
C14H13BO4
Molecular Weight
256.060000
Exact Mass
256.090689
SMILES
B(C1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C14H13BO4/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9,17-18H,10H2
InChIKey
HNCABRWZPCRMMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.43
TPSA
66.76

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.76
Consensus LogP
0.73
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-3.74

Drug-likeness / Medicinal Chemistry

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

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