CAS RN: 2349367-89-9
NVS-ZP7-4
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260425 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260701 | 10mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250526 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260107 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251110 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2349367-89-9
- Purity/Analytical Methods: >99.0%
2349367-89-9 / 1'-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3-phenylpropyl]spiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
Basic Information
CAS
2349367-89-9
Multi CAS
No
Molecular Formula
C28H28FN5OS
Molecular Weight
501.600000
Exact Mass
501.199860
SMILES
C1CN(CCC12C3=CC=CC=C3NC(=O)N2)C[C@H](CC4=CC=CC=C4)NC5=NC6=C(S5)C=C(C=C6)F
InChI
InChI=1S/C28H28FN5OS/c29-20-10-11-24-25(17-20)36-27(32-24)30-21(16-19-6-2-1-3-7-19)18-34-14-12-28(13-15-34)22-8-4-5-9-23(22)31-26(35)33-28/h1-11,17,21H,12-16,18H2,(H,30,32)(H2,31,33,35)/t21-/m0/s1
InChIKey
FZOFDZMKSAUTHT-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
143.08
TPSA
69.29
LogP / Solubility
WLOGP
5.59
MLOGP
4.95
XLogP3
5.5
Consensus LogP
5.35
Log S (ESOL)
-6.5
Class (ESOL)
Insoluble
Log S (Ali)
-7.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7
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