CAS RN: 2757083-01-3
INDEX NAME NOT YET ASSIGNED
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.20250414 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757083-01-3
- Purity/Analytical Methods: >99.0%
2757083-01-3 / 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2757083-01-3
Multi CAS
Yes
Molecular Formula
C20H28N2O2
Molecular Weight
328.400000
Exact Mass
328.215078
InChI
InChI=1S/C20H28N2O2/c1-19(2,3)15-11-23-17(21-15)13-8-7-9-14(10-13)18-22-16(12-24-18)20(4,5)6/h7-10,15-16H,11-12H2,1-6H3
InChIKey
KFPRVQMSDHGRIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
97.91
TPSA
43.18
LogP / Solubility
WLOGP
4.07
MLOGP
3.6
XLogP3
4.5
Consensus LogP
4.06
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-1.83
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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![CAS 2757083-08-0 2-Propanesulfinamide, N-[(R)-[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]phenylmethyl]-2-methyl-, [S(R)]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757083-08-0.gif)
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