CAS RN: 1778667-07-4
N-(4-Boronophenyl)-1,3-propanesultam
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250907 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250705 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260416 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250604 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260405 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1778667-07-4
- Purity/Analytical Methods: >99.0%
1778667-07-4 / [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]boronic acid
Basic Information
CAS
1778667-07-4
Multi CAS
No
Molecular Formula
C9H12BNO4S
Molecular Weight
241.080000
Exact Mass
241.058009
SMILES
B(C1=CC=C(C=C1)N2CCCS2(=O)=O)(O)O
InChI
InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-16(11,14)15/h2-5,12-13H,1,6-7H2
InChIKey
DJRFEMBBOLGQFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.02
TPSA
77.84
LogP / Solubility
WLOGP
-1.09
MLOGP
-0.96
XLogP3
-1.09
Consensus LogP
-1.05
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-4.97
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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