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CAS 145369-28-4 Boronic acid, (6-butoxy-2-naphthalenyl)- (9CI) molecular structure lightbox
CAS RN: 145369-28-4

Boronic acid, (6-butoxy-2-naphthalenyl)- (9CI)

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250315 1g In stock Shenzhen Inquiry
Batchno.20260425 250mg Out of stock Inquiry
Batchno.20250610 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260514 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS145369-28-4
  • Purity/Analytical Methods: >99.0%
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145369-28-4 / (6-butoxynaphthalen-2-yl)boronic acid

Standard CAS: 145369-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145369-28-4
Multi CAS
No
Molecular Formula
C14H17BO3
Molecular Weight
244.100000
Exact Mass
244.127075
SMILES
B(C1=CC2=C(C=C1)C=C(C=C2)OCCCC)(O)O
InChI
InChI=1S/C14H17BO3/c1-2-3-8-18-14-7-5-11-9-13(15(16)17)6-4-12(11)10-14/h4-7,9-10,16-17H,2-3,8H2,1H3
InChIKey
IKDHTYIAXFUCTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.18
TPSA
49.69

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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

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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