![CAS 2005443-99-0 “(4R,4’R)-2,2′-Cyclopentylidenebis[4,5-dihydro-4-(phenylmethyl)oxazole],99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2005443-99-0.png)
CAS RN: 2005443-99-0
“(4R,4’R)-2,2′-Cyclopentylidenebis[4,5-dihydro-4-(phenylmethyl)oxazole],99%e.e.”
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250331 | 50mg / 250mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS2005443-99-0
- Purity/Analytical Methods: >99.0%
2005443-99-0 / (4R)-4-benzyl-2-[1-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2005443-99-0
Multi CAS
No
Molecular Formula
C25H28N2O2
Molecular Weight
388.500000
Exact Mass
388.215078
SMILES
C1CCC(C1)(C2=N[C@@H](CO2)CC3=CC=CC=C3)C4=N[C@@H](CO4)CC5=CC=CC=C5
InChI
InChI=1S/C25H28N2O2/c1-3-9-19(10-4-1)15-21-17-28-23(26-21)25(13-7-8-14-25)24-27-22(18-29-24)16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22-/m1/s1
InChIKey
RSBSWYBZVIWBOP-FGZHOGPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
115.54
TPSA
43.18
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
4.9
Consensus LogP
4.54
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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