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CAS 373384-13-5 4-CHLOROPHENYLBORONIC ACID PROPANEDIOL ESTER molecular structure lightbox
CAS RN: 373384-13-5

4-CHLOROPHENYLBORONIC ACID PROPANEDIOL ESTER

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 1g In stock Shanghai Inquiry
Batchno.20251107 250mg Out of stock Inquiry
Batchno.20251110 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS373384-13-5
  • Purity/Analytical Methods: >99.0%
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373384-13-5 / 2-(4-chlorophenyl)-1,3,2-dioxaborinane

Standard CAS: 373384-13-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
373384-13-5
Multi CAS
Yes
Molecular Formula
C9H10BCLO2
Molecular Weight
196.440000
Exact Mass
196.046237
InChI
InChI=1S/C9H10BClO2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5H,1,6-7H2
InChIKey
QLTAXEYAYHGYFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.36
TPSA
18.46

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
1.47
Consensus LogP
1.41
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.87

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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