CAS RN: 204398-92-5
DriMentine C
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.20250721 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS204398-92-5
- Purity/Analytical Methods: >99.0%
204398-92-5 / (1S,4S,10S,12S)-12-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
Basic Information
CAS
204398-92-5
Multi CAS
No
Molecular Formula
C31H41N3O2
Molecular Weight
487.700000
Exact Mass
487.319878
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C[C@@]34C[C@H]5C(=O)N6CCC[C@H]6C(=O)N5[C@@H]3NC7=CC=CC=C47)(C)C
InChI
InChI=1S/C31H41N3O2/c1-19-12-13-25-29(2,3)14-8-15-30(25,4)21(19)17-31-18-24-26(35)33-16-7-11-23(33)27(36)34(24)28(31)32-22-10-6-5-9-20(22)31/h5-6,9-10,21,23-25,28,32H,1,7-8,11-18H2,2-4H3/t21-,23-,24-,25-,28-,30+,31-/m0/s1
InChIKey
FIEHMEZFTNYYIF-RJBXWAARSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
141.23
TPSA
52.65
LogP / Solubility
WLOGP
5.47
MLOGP
4.85
XLogP3
6.4
Consensus LogP
5.57
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5
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