CAS RN: 1380575-43-8
LDK-378 dihydrochloride
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260326 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260402 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250316 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250624 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251018 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260215 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20250610 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-048048
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1380575-43-8 / 5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;dihydrochloride
Basic Information
CAS
1380575-43-8
Multi CAS
No
Molecular Formula
C28H38Cl3N5O3S
Molecular Weight
631.100000
Exact Mass
629.176094
SMILES
CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl.Cl.Cl
InChI
InChI=1S/C28H36ClN5O3S.2ClH/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4;;/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34);2*1H
InChIKey
WNCJOPLFICTLPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
168.65
TPSA
105.24
LogP / Solubility
WLOGP
7.21
MLOGP
6.39
XLogP3
7.21
Consensus LogP
6.94
Log S (ESOL)
-8.03
Class (ESOL)
Insoluble
Log S (Ali)
-9.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
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