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CAS 1803175-51-0 5-(Diethylaminol)furan-2-boronic acid molecular structure lightbox
CAS RN: 1803175-51-0

5-(Diethylaminol)furan-2-boronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: LIND889972
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1803175-51-0 / [5-(diethylamino)furan-2-yl]boronic acid

Standard CAS: 1803175-51-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1803175-51-0
Multi CAS
No
Molecular Formula
C8H14BNO3
Molecular Weight
183.020000
Exact Mass
183.106674
SMILES
B(C1=CC=C(O1)N(CC)CC)(O)O
InChI
InChI=1S/C8H14BNO3/c1-3-10(4-2)8-6-5-7(13-8)9(11)12/h5-6,11-12H,3-4H2,1-2H3
InChIKey
FHUOHZHNBWNFIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.09
TPSA
56.84

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.17
XLogP3
-0.19
Consensus LogP
-0.18
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.17
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)
-3.97

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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