CAS RN: 1190875-47-8
B-(2-methyl-5-thiazolyl)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.20250130 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1190875-47-8
- Purity/Analytical Methods: >99.0%
1190875-47-8 / (2-methyl-1,3-thiazol-5-yl)boronic acid
(2-Methylthiazol-5-yl)boronic acid | (2-Methyl-1,3-thiazol-5-yl)boronic acid | 2-Methyl-5-thiazolyl-boronic Acid
Basic Information
CAS
1190875-47-8
Multi CAS
No
Molecular Formula
C4H6BNO2S
Molecular Weight
142.980000
Exact Mass
143.021230
SMILES
B(C1=CN=C(S1)C)(O)O
InChI
InChI=1S/C4H6BNO2S/c1-3-6-2-4(9-3)5(7)8/h2,7-8H,1H3
InChIKey
TXEARPNXPNJAQJ-UHFFFAOYSA-N
Synonyms
(2-Methylthiazol-5-yl)boronic acid
(2-Methyl-1,3-thiazol-5-yl)boronic acid
2-Methyl-5-thiazolyl-boronic Acid
Boronic acid, B-?(2-?methyl-?5-?thiazolyl)?-
B-(2-methyl-5-thiazolyl)Boronic acid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.68
TPSA
53.35
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.77
XLogP3
-0.87
Consensus LogP
-0.84
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly 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)
-4.21
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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