CAS RN: 1609392-27-9
BMS-986165
Product Availability
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15 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260128 | 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251125 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250410 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260630 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250126 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250403 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260113 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250508 | 5g | In stock | Shanghai | Inquiry | |
| Batchno.20260225 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1609392-27-9
- Purity/Analytical Methods: >99.0%
1609392-27-9 / 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
Basic Information
CAS
1609392-27-9
Multi CAS
No
Molecular Formula
C20H22N8O3
Molecular Weight
425.500000
Exact Mass
425.200317
SMILES
[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
InChI
InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3
InChIKey
BZZKEPGENYLQSC-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
17
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
3
Molar refractivity
113.05
TPSA
135.95
LogP / Solubility
WLOGP
1.73
MLOGP
1.55
XLogP3
1.2
Consensus LogP
1.49
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H361 (33.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H361f (33.3%): Suspected of damaging fertility [Warning Reproductive toxicity]
H372 (66.7%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P280, P318, P319, P405, and P501
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![CAS 1609393-90-9 2-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1609393-90-9.gif)
