CAS RN: 854001-07-3
BMS 354825 hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251130 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250624 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260524 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250713 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250101 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260203 | 5mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS854001-07-3
- Purity/Analytical Methods: >99.0%
854001-07-3 / N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydrochloride
Basic Information
CAS
854001-07-3
Multi CAS
No
Molecular Formula
C22H27CL2N7O2S
Molecular Weight
524.500000
Exact Mass
523.132400
InChI
InChI=1S/C22H26ClN7O2S.ClH/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H
InChIKey
MSCGWICDJYLQOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
3
Molar refractivity
139.29
TPSA
106.51
LogP / Solubility
WLOGP
3.74
MLOGP
3.33
XLogP3
3.74
Consensus LogP
3.6
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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