CAS RN: 1031496-06-6
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetamide
Product Availability
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7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 100mg | In stock | Inquiry | |
| Batchno.20250707 | 10mg | In stock | Inquiry | |
| Batchno.20250502 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
| Batchno.20250807 | 250mg | In stock | Inquiry | |
| Batchno.20250901 | 25mg | In stock | Inquiry | |
| Batchno.20260329 | 50mg | In stock | Inquiry | |
| Batchno.20260429 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS1031496-06-6
- Purity/Analytical Methods: >99.0%
1031496-06-6 / 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CIM0216 | CIM-0216 | DTXSID501336574
Basic Information
CAS
1031496-06-6
Multi CAS
No
Molecular Formula
C21H21N3O2
Molecular Weight
347.400000
Exact Mass
347.163377
SMILES
CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)N3CCCC4=CC=CC=C43
InChI
InChI=1S/C21H21N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,14,20H,7,11,13H2,1H3,(H,22,23,25)
InChIKey
KSEXDSJYVSEVGF-UHFFFAOYSA-N
Synonyms
CIM0216
CIM-0216
DTXSID501336574
RefChem:828172
DTXCID401766782
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
101.16
TPSA
58.37
LogP / Solubility
WLOGP
4.12
MLOGP
3.64
XLogP3
4.2
Consensus LogP
3.99
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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