CAS RN: 871333-06-1
3-((4,5-DIHYDROTHIAZOL-2-YL)CARBAMOYL)PHENYLBORONIC 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.20250415 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS871333-06-1
- Purity/Analytical Methods: >99.0%
871333-06-1 / [3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
Basic Information
CAS
871333-06-1
Multi CAS
Yes
Molecular Formula
BC10H11N2O3S
Molecular Weight
250.090000
Exact Mass
250.058344
InChI
InChI=1S/C10H11BN2O3S/c14-9(13-10-12-4-5-17-10)7-2-1-3-8(6-7)11(15)16/h1-3,6,15-16H,4-5H2,(H,12,13,14)
InChIKey
JKXDTFJXMNWUFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
68.49
TPSA
81.92
LogP / Solubility
WLOGP
-0.8
MLOGP
-0.7
XLogP3
-0.8
Consensus LogP
-0.77
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-4.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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