![CAS 485394-22-7 Bis[2-((4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)phenyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/485394-22-7.gif)
CAS RN: 485394-22-7
Bis[2-((4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)phenyl]amine
- Product code: SSC-155272
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: 1g
- Available purity: ＞97%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
485394-22-7 / 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
Basic Information
CAS
485394-22-7
Multi CAS
Yes
Molecular Formula
C26H33N3O2
Molecular Weight
419.600000
Exact Mass
419.257277
InChI
InChI=1S/C26H33N3O2/c1-25(2,3)21-15-30-23(28-21)17-11-7-9-13-19(17)27-20-14-10-8-12-18(20)24-29-22(16-31-24)26(4,5)6/h7-14,21-22,27H,15-16H2,1-6H3/t21-,22-/m1/s1
InChIKey
BGRQEGFCUQGDBL-FGZHOGPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
127.63
TPSA
55.21
LogP / Solubility
WLOGP
5.81
MLOGP
5.14
XLogP3
6.1
Consensus LogP
5.68
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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