CAS RN: 2097145-89-4
INDEX NAME NOT YET ASSIGNED
Product Availability
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8 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251104 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2097145-89-4
- Purity/Analytical Methods: >99.0%
2097145-89-4 / (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclohexyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2097145-89-4
Multi CAS
No
Molecular Formula
C26H26N2O2
Molecular Weight
398.500000
Exact Mass
398.199428
SMILES
C1CCC(CC1)(C2=N[C@H]3[C@@H](O2)CC4=CC=CC=C34)C5=N[C@H]6[C@@H](O5)CC7=CC=CC=C67
InChI
InChI=1S/C26H26N2O2/c1-6-12-26(13-7-1,24-27-22-18-10-4-2-8-16(18)14-20(22)29-24)25-28-23-19-11-5-3-9-17(19)15-21(23)30-25/h2-5,8-11,20-23H,1,6-7,12-15H2/t20-,21-,22+,23+/m0/s1
InChIKey
RPTWHOHESXOONM-MYDTUXCISA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
115.91
TPSA
43.18
LogP / Solubility
WLOGP
5.13
MLOGP
4.53
XLogP3
5.1
Consensus LogP
4.92
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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