CAS RN: 1229652-21-4
HA 130
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 100mg | Out of stock | Inquiry | |
| Batchno.20250706 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260422 | 250mg | Out of stock | Inquiry | |
| Batchno.20251128 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260305 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250713 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1229652-21-4
- Purity/Analytical Methods: >99.0%
1229652-21-4 / [3-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]phenyl]boronic acid
Basic Information
CAS
1229652-21-4
Multi CAS
No
Molecular Formula
C24H19BFNO5S
Molecular Weight
463.300000
Exact Mass
463.106102
SMILES
B(C1=CC(=CC=C1)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)(O)O
InChI
InChI=1S/C24H19BFNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-24(27)29)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
InChIKey
VTNKMYWFWQTEHE-XKZIYDEJSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.08
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
124.96
TPSA
87.07
LogP / Solubility
WLOGP
3.32
MLOGP
2.95
XLogP3
3.32
Consensus LogP
3.2
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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