![CAS 875640-21-4 8H-Indeno[1,2-d]oxazole, 2,2′-(1-ethylpropylidene)bis[3a,8a-dihydro-, (3aS,3’aS,8aR,8’aR)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875640-21-4.gif)
CAS RN: 875640-21-4
8H-Indeno[1,2-d]oxazole, 2,2′-(1-ethylpropylidene)bis[3a,8a-dihydro-, (3aS,3’aS,8aR,8’aR)- (9CI)
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.20250110 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS875640-21-4
- Purity/Analytical Methods: >99.0%
875640-21-4 / 2-[3-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
875640-21-4
Multi CAS
Yes
Molecular Formula
C25H26N2O2
Molecular Weight
386.500000
Exact Mass
386.199428
InChI
InChI=1S/C25H26N2O2/c1-3-25(4-2,23-26-21-17-11-7-5-9-15(17)13-19(21)28-23)24-27-22-18-12-8-6-10-16(18)14-20(22)29-24/h5-12,19-22H,3-4,13-14H2,1-2H3/t19-,20-,21+,22+/m1/s1
InChIKey
OQLUHXFWGUDHNB-CZYKHXBRSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
113.41
TPSA
43.18
LogP / Solubility
WLOGP
4.98
MLOGP
4.41
XLogP3
4.7
Consensus LogP
4.7
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
