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CAS 186498-24-8 AKOS BRN-1184 molecular structure lightbox
CAS RN: 186498-24-8

AKOS BRN-1184

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS186498-24-8
  • Purity/Analytical Methods: >99.0%
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186498-24-8 / (4-butanoylphenyl)boronic acid

Standard CAS: 186498-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
186498-24-8
Multi CAS
No
Molecular Formula
C10H13BO3
Molecular Weight
192.020000
Exact Mass
192.095774
SMILES
B(C1=CC=C(C=C1)C(=O)CCC)(O)O
InChI
InChI=1S/C10H13BO3/c1-2-3-10(12)8-4-6-9(7-5-8)11(13)14/h4-7,13-14H,2-3H2,1H3
InChIKey
IGYWRXHZSLSNLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.51
TPSA
57.53

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
0.35
Consensus LogP
0.34
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.64

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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