CAS RN: 1431698-10-0
OTSSP167HCL
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250131 | 2mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1431698-10-0
- Purity/Analytical Methods: >99.0%
1431698-10-0 / 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone;hydrochloride
Basic Information
CAS
1431698-10-0
Multi CAS
No
Molecular Formula
C25H29Cl3N4O2
Molecular Weight
523.900000
Exact Mass
522.135609
SMILES
CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl.Cl
InChI
InChI=1S/C25H28Cl2N4O2.ClH/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3;/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29);1H
InChIKey
XDGWHISAOWEFML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
141.83
TPSA
78.35
LogP / Solubility
WLOGP
6.47
MLOGP
5.73
XLogP3
6.47
Consensus LogP
6.22
Log S (ESOL)
-7.11
Class (ESOL)
Insoluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1431705-25-7 IN1763, 4,8-Bis(5-hexylthiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1431705-25-7.gif)