CAS RN: 1442639-32-8
5-(Dimethylamino)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.20250224 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND889916
1442639-32-8 / [5-(dimethylamino)thiophen-2-yl]boronic acid
Basic Information
CAS
1442639-32-8
Multi CAS
No
Molecular Formula
C6H10BNO2S
Molecular Weight
171.030000
Exact Mass
171.052530
SMILES
B(C1=CC=C(S1)N(C)C)(O)O
InChI
InChI=1S/C6H10BNO2S/c1-8(2)6-4-3-5(11-6)7(9)10/h3-4,9-10H,1-2H3
InChIKey
BNTOZDINHCJPQW-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
48.47
TPSA
43.7
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.51
Consensus LogP
-0.49
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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)
-4.12
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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