![CAS 1822358-25-7 2-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzo[4,5]imidazo[1,2-a][1,8]naphthyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1822358-25-7.gif)
CAS RN: 1822358-25-7
2-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzo[4,5]imidazo[1,2-a][1,8]naphthyridine-6-carbonitrile
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260606 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1822358-25-7
- Purity/Analytical Methods: >99.0%
1822358-25-7 / 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
Basic Information
CAS
1822358-25-7
Multi CAS
No
Molecular Formula
C21H20N6
Molecular Weight
356.400000
Exact Mass
356.174945
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=NC3=C(C=C2)C=C(C4=NC5=CC=CC=C5N34)C#N
InChI
InChI=1S/C21H20N6/c1-13-11-26(12-14(2)23-13)19-8-7-15-9-16(10-22)21-24-17-5-3-4-6-18(17)27(21)20(15)25-19/h3-9,13-14,23H,11-12H2,1-2H3/t13-,14+
InChIKey
HFQPEPQECNSOFF-OKILXGFUSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
106.99
TPSA
69.25
LogP / Solubility
WLOGP
3.09
MLOGP
2.74
XLogP3
4.2
Consensus LogP
3.34
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
3-((((9H-Fluoren-9-Yl)Methoxy)Carbonyl)Amino)-2-(((Benzyloxy)Carbonyl)Amino)Propanoic Acid
- CAS RN: 1822422-91-2
- Product Code: starshine_CAS1822422-91-2
- Purity/Analytical method: >99.0%
-
Imidazo[1,2-a]pyridine-5-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester
- CAS RN: 1822439-70-2
- Product Code: SSC-083251
-
2-(tert-butyl) 3-ethyl 2,8-diazaspiro[4.5]decane-2,3-dicarboxylate
- CAS RN: 1822453-48-4
- Product Code: SSC-083256
-
Ethyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
- CAS RN: 1822454-85-2
- Product Code: SSC-083257
-
Lacosamide Related Compound B (30 mg) (2-Acetamido-3-(benzylamino)-3-oxopropyl acetate)
- CAS RN: 1822463-67-1
- Product Code: starshine_CAS1822463-67-1
- Purity/Analytical method: >99.0%
-
![CAS 1822439-70-2 Imidazo[1,2-a]pyridine-5-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1822439-70-2.gif)
![CAS 1822453-48-4 2-(tert-butyl) 3-ethyl 2,8-diazaspiro[4.5]decane-2,3-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1822453-48-4.gif)
