CAS RN: 1872427-39-8
5-(Dimethylaminol)furan-2-boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250216 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND889976
1872427-39-8 / [5-(dimethylamino)furan-2-yl]boronic acid
Basic Information
CAS
1872427-39-8
Multi CAS
No
Molecular Formula
C6H10BNO3
Molecular Weight
154.960000
Exact Mass
155.075373
SMILES
B(C1=CC=C(O1)N(C)C)(O)O
InChI
InChI=1S/C6H10BNO3/c1-8(2)6-4-3-5(11-6)7(9)10/h3-4,9-10H,1-2H3
InChIKey
CINSXWZWVSRTOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.86
TPSA
56.84
LogP / Solubility
WLOGP
-0.97
MLOGP
-0.86
XLogP3
-0.97
Consensus LogP
-0.93
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
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)
-4.36
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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