CAS RN: 138046-43-2
N-Cycloheptyl-N-(9H-fluoren-2-ylmethyl)-N’-(2,4,6-trimethylphenyl)urea
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250517 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250113 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260213 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260323 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250118 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250215 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250205 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250718 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS138046-43-2
- Purity/Analytical Methods: >99.0%
138046-43-2 / 1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
Basic Information
CAS
138046-43-2
Multi CAS
No
Molecular Formula
C31H36N2O
Molecular Weight
452.600000
Exact Mass
452.282764
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC3=C(C=C2)C4=CC=CC=C4C3)C5CCCCCC5)C
InChI
InChI=1S/C31H36N2O/c1-21-16-22(2)30(23(3)17-21)32-31(34)33(27-11-6-4-5-7-12-27)20-24-14-15-29-26(18-24)19-25-10-8-9-13-28(25)29/h8-10,13-18,27H,4-7,11-12,19-20H2,1-3H3,(H,32,34)
InChIKey
FMLJREWZCZHGGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
141.39
TPSA
32.34
LogP / Solubility
WLOGP
7.94
MLOGP
7.02
XLogP3
7.7
Consensus LogP
7.55
Log S (ESOL)
-7.78
Class (ESOL)
Insoluble
Log S (Ali)
-9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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