CAS RN: 1016642-07-1
2-THIAZOLE-4-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.20260212 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1016642-07-1
- Purity/Analytical Methods: >99.0%
1016642-07-1 / 1,3-thiazol-4-ylboronic acid
1,3-thiazol-4-ylboronic acid | DTXSID40670302 | RefChem:219765
Basic Information
CAS
1016642-07-1
Multi CAS
No
Molecular Formula
C3H4BNO2S
Molecular Weight
128.950000
Exact Mass
129.005580
SMILES
B(C1=CSC=N1)(O)O
InChI
InChI=1S/C3H4BNO2S/c6-4(7)3-1-8-2-5-3/h1-2,6-7H
InChIKey
WSTDOIHBEOVTHX-UHFFFAOYSA-N
Synonyms
1,3-thiazol-4-ylboronic acid
DTXSID40670302
RefChem:219765
DTXCID40621051
847-480-5
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
31.94
TPSA
53.35
LogP / Solubility
WLOGP
-1.18
MLOGP
-1.04
XLogP3
-1.18
Consensus LogP
-1.13
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.36
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.34
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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