![CAS 892299-03-5 1’H-Spiro[cycloheptane-1,2′-quinazoline]-4′-thiol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892299-03-5.gif)
CAS RN: 892299-03-5
1’H-Spiro[cycloheptane-1,2′-quinazoline]-4′-thiol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 500mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS892299-03-5
- Purity/Analytical Methods: >99.0%
892299-03-5 / spiro[1,3-dihydroquinazoline-2,1'-cycloheptane]-4-thione
Basic Information
CAS
892299-03-5
Multi CAS
No
Molecular Formula
C14H18N2S
Molecular Weight
246.370000
Exact Mass
246.119070
InChI
InChI=1S/C14H18N2S/c17-13-11-7-3-4-8-12(11)15-14(16-13)9-5-1-2-6-10-14/h3-4,7-8,15H,1-2,5-6,9-10H2,(H,16,17)
InChIKey
UWQPLNLJLOVGIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.33
TPSA
24.06
LogP / Solubility
WLOGP
3.43
MLOGP
3.02
XLogP3
3.8
Consensus LogP
3.42
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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