![CAS 921599-79-3 (5R,7S,Z)-4-(cyclohexylimino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/921599-79-3.png)
CAS RN: 921599-79-3
(5R,7S,Z)-4-(cyclohexylimino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250417 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926556
921599-79-3 / (5R,7S)-4-cyclohexylimino-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one
Basic Information
CAS
921599-79-3
Multi CAS
No
Molecular Formula
C20FH27N4O
Molecular Weight
358.500000
Exact Mass
358.216890
InChI
InChI=1S/C20H27FN4O/c1-14-13-20(10-11-22-14)18(23-16-7-3-2-4-8-16)24-19(26)25(20)17-9-5-6-15(21)12-17/h5-6,9,12,14,16,22H,2-4,7-8,10-11,13H2,1H3,(H,23,24,26)/t14-,20+/m0/s1
InChIKey
HTVOOESVIJTMLC-VBKZILBWSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.15
TPSA
56.73
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3
Consensus LogP
3.26
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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