CAS RN: 152317-89-0
Alniditan
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260125 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS152317-89-0
- Purity/Analytical Methods: >99.0%
152317-89-0 / N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
Basic Information
CAS
152317-89-0
Multi CAS
No
Molecular Formula
C17H26N4O
Molecular Weight
302.400000
Exact Mass
302.210661
SMILES
C1CNC(=NC1)NCCCNC[C@H]2CCC3=CC=CC=C3O2
InChI
InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1
InChIKey
QVSXOXCYXPQXMF-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
89.59
TPSA
57.68
LogP / Solubility
WLOGP
1.3
MLOGP
1.16
XLogP3
2
Consensus LogP
1.49
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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