CAS RN: 1451994-10-7
VU0467485
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260324 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250214 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250708 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250123 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250706 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250516 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250417 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251221 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260620 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1451994-10-7
- Purity/Analytical Methods: >99.0%
1451994-10-7 / 5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
Basic Information
CAS
1451994-10-7
Multi CAS
No
Molecular Formula
C17H17FN4O2S
Molecular Weight
360.400000
Exact Mass
360.105625
SMILES
CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)F)N)C
InChI
InChI=1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
InChIKey
VFNHDIWHQGVWLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
95.42
TPSA
90.13
LogP / Solubility
WLOGP
2.97
MLOGP
2.63
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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