CAS RN: 1222800-79-4
ML234
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260215 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250807 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250319 | 250mg | Out of stock | Inquiry | |
| Batchno.20251009 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251015 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260114 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1222800-79-4
- Purity/Analytical Methods: >99.0%
1222800-79-4 / N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
Basic Information
CAS
1222800-79-4
Multi CAS
No
Molecular Formula
C21H23N3O2
Molecular Weight
349.400000
Exact Mass
349.179027
SMILES
CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)O
InChI
InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
InChIKey
QDBVSOZTVKXUES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
104.35
TPSA
65.46
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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
No
Log Kp (skin permeation)
-2.52
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
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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