CAS RN: 1449240-68-9
K145 (hydrochloride)
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260127 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260605 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251026 | 10mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260502 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251020 | 25mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260216 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260526 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1449240-68-9
- Purity/Analytical Methods: >99.0%
1449240-68-9 / (5Z)-3-(2-aminoethyl)-5-[3-(4-butoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
Basic Information
CAS
1449240-68-9
Multi CAS
No
Molecular Formula
C18H25ClN2O3S
Molecular Weight
384.900000
Exact Mass
384.127442
SMILES
CCCCOC1=CC=C(C=C1)CC/C=C\2/C(=O)N(C(=O)S2)CCN.Cl
InChI
InChI=1S/C18H24N2O3S.ClH/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16;/h6-10H,2-5,11-13,19H2,1H3;1H/b16-6-;
InChIKey
HADFDMGQKBGVAV-NKBLJONXSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.25
TPSA
72.63
LogP / Solubility
WLOGP
3.76
MLOGP
3.33
XLogP3
3.76
Consensus LogP
3.62
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4
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
2.5
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