![CAS 298693-03-5 “(4S,4’S)-2,2′-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole],99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/298693-03-5.png)
CAS RN: 298693-03-5
“(4S,4’S)-2,2′-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole],99%e.e.”
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-133112
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
298693-03-5 / (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
298693-03-5
Multi CAS
Yes
Molecular Formula
C19H32N2O2
Molecular Weight
320.500000
Exact Mass
320.246378
InChI
InChI=1S/C19H32N2O2/c1-17(2,3)13-11-22-15(20-13)19(9-7-8-10-19)16-21-14(12-23-16)18(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKey
WGMVBTAYSGCATC-ZIAGYGMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
94.16
TPSA
43.18
LogP / Solubility
WLOGP
4.23
MLOGP
3.74
XLogP3
4.5
Consensus LogP
4.16
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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