CAS RN: 460330-27-2
GT 949
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.20260202 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260102 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250909 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251218 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250309 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS460330-27-2
- Purity/Analytical Methods: >99.0%
460330-27-2 / 3-[(4-cyclohexylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
Basic Information
CAS
460330-27-2
Multi CAS
Yes
Molecular Formula
C30H37N7O2
Molecular Weight
527.700000
Exact Mass
527.300873
InChI
InChI=1S/C30H37N7O2/c1-39-25-12-13-27-23(20-25)21-26(30(38)31-27)28(36-18-16-35(17-19-36)24-10-6-3-7-11-24)29-32-33-34-37(29)15-14-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20-21,24,28H,3,6-7,10-11,14-19H2,1H3,(H,31,38)
InChIKey
ZVWPOIUAPXDLMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
150.95
TPSA
92.17
LogP / Solubility
WLOGP
3.81
MLOGP
3.39
XLogP3
4
Consensus LogP
3.73
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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