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CAS 2225153-01-3 5-(2-Methylpiperidin-1-yl)furan-2-boronic acid molecular structure lightbox
CAS RN: 2225153-01-3

5-(2-Methylpiperidin-1-yl)furan-2-boronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260127 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: LINM890005
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2225153-01-3 / [5-(2-methylpiperidin-1-yl)furan-2-yl]boronic acid

Standard CAS: 2225153-01-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2225153-01-3
Multi CAS
No
Molecular Formula
C10H16BNO3
Molecular Weight
209.050000
Exact Mass
209.122324
SMILES
B(C1=CC=C(O1)N2CCCCC2C)(O)O
InChI
InChI=1S/C10H16BNO3/c1-8-4-2-3-7-12(8)10-6-5-9(15-10)11(13)14/h5-6,8,13-14H,2-4,7H2,1H3
InChIKey
RAASPWNWPWDBAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.19
TPSA
56.84

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.34
Consensus LogP
0.33
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.76

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
2

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