CAS RN: 2225179-56-4
5-(Morpholino)thiophene-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.20260328 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM890065
2225179-56-4 / (5-morpholin-4-ylthiophen-2-yl)boronic acid
Basic Information
CAS
2225179-56-4
Multi CAS
No
Molecular Formula
C8H12BNO3S
Molecular Weight
213.070000
Exact Mass
213.063095
SMILES
B(C1=CC=C(S1)N2CCOCC2)(O)O
InChI
InChI=1S/C8H12BNO3S/c11-9(12)7-1-2-8(14-7)10-3-5-13-6-4-10/h1-2,11-12H,3-6H2
InChIKey
OWOYQCNCUCRNPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
57.18
TPSA
52.93
LogP / Solubility
WLOGP
-0.74
MLOGP
-0.65
XLogP3
-0.74
Consensus LogP
-0.71
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
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)
-4.54
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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