![CAS 942474-81-9 8-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,4-DIOXA-8-AZASPIRO-[4,5]-DECANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4820293.gif)
CAS RN: 942474-81-9
8-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,4-DIOXA-8-AZASPIRO-[4,5]-DECANE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250418 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250120 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250130 | 1g / 2g / 5g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
| Batchno.20260123 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251129 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS942474-81-9
- Purity/Analytical Methods: >99.0%
942474-81-9 / 8-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
Basic Information
CAS
942474-81-9
Multi CAS
No
Molecular Formula
C14F3H15N2O4
Molecular Weight
332.270000
Exact Mass
332.098391
InChI
InChI=1S/C14H15F3N2O4/c15-14(16,17)10-1-2-11(12(9-10)19(20)21)18-5-3-13(4-6-18)22-7-8-23-13/h1-2,9H,3-8H2
InChIKey
HRGPJHCEEHVJCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
74.18
TPSA
64.84
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
Nemoralisin
- CAS RN: 942480-13-9
- Product Code: starshine_CAS942480-13-9
- Purity/Analytical method: >99.0%
-
-
PF-03814735
- CAS RN: 942487-16-3
- Product Code: starshine_CAS942487-16-3
- Purity/Analytical method: >99.0%
-
RAC-6-NITRO-1,2,3,4-TETRAHYDRO-1,4-EPIAZANO-NAPHTHALENE-9-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 942492-08-2
- Product Code: SSC-208907
-
6-NITRO-(1S,4R)-1,2,3,4-TETRAHYDRO-1,4-EPIAZANO-NAPHTHALENE-9-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 942492-09-3
- Product Code: SSC-208908
![CAS 942485-62-3 4-[[(4-Fluorophenyl)Imino]Methyl]-Phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942485-62-3.gif)
