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CAS 380430-58-0 [4-(E-3-METHOXY-3-OXO-1-PROPEN-1-YL)PHENYL]BORONIC ACID molecular structure lightbox
CAS RN: 380430-58-0

[4-(E-3-METHOXY-3-OXO-1-PROPEN-1-YL)PHENYL]BORONIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250414 1g In stock Inquiry
Batchno.20250819 250mg In stock Inquiry
Batchno.20260418 5g In stock Inquiry
  • Product code: starshine_CAS380430-58-0
  • Purity/Analytical Methods: >99.0%
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380430-58-0 / [4-(3-methoxy-3-oxoprop-1-enyl)phenyl]boronic acid

Standard CAS: 380430-58-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
380430-58-0
Multi CAS
Yes
Molecular Formula
BC10H11O4
Molecular Weight
206.000000
Exact Mass
206.075039
InChI
InChI=1S/C10H11BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7,13-14H,1H3/b7-4+
InChIKey
BIKAXBPCHWDATP-QPJJXVBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.32
TPSA
66.76

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.39
XLogP3
-0.45
Consensus LogP
-0.43
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.29

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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