CAS RN: 174636-32-9
SB 223412
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251125 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260109 | 10mg / 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260305 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250520 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251204 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS174636-32-9
- Purity/Analytical Methods: >99.0%
174636-32-9 / 3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Basic Information
CAS
174636-32-9
Multi CAS
No
Molecular Formula
C25H22N2O2
Molecular Weight
382.500000
Exact Mass
382.168128
SMILES
CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O
InChI
InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
InChIKey
BIAVGWDGIJKWRM-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
115.78
TPSA
62.22
LogP / Solubility
WLOGP
5.49
MLOGP
4.85
XLogP3
5.7
Consensus LogP
5.35
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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