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CAS RN: 1400902-13-7
CORT 118335
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250706 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1400902-13-7
- Purity/Analytical Methods: >99.0%
1400902-13-7 / 6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
Basic Information
CAS
1400902-13-7
Multi CAS
No
Molecular Formula
C24H23F3N2O2
Molecular Weight
428.400000
Exact Mass
428.171162
SMILES
C1CC(CCC1C2=CC=CC=C2)C3=C(C(=O)NC(=O)N3)CC4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)
InChIKey
GVVUZBSCYAVFTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
112.33
TPSA
65.72
LogP / Solubility
WLOGP
5.11
MLOGP
4.53
XLogP3
5.2
Consensus LogP
4.95
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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