![CAS 1373357-05-1 “(4S,4’S)-2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-(1-methylethyl)-Oxazole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373357-05-1.gif)
CAS RN: 1373357-05-1
“(4S,4’S)-2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-(1-methylethyl)-Oxazole”
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-046842
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: ≥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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1373357-05-1 / (4S)-2-[1,3-bis(4-tert-butylphenyl)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1373357-05-1
Multi CAS
No
Molecular Formula
C35H50N2O2
Molecular Weight
530.800000
Exact Mass
530.387229
SMILES
CC(C)[C@H]1COC(=N1)C(CC2=CC=C(C=C2)C(C)(C)C)(CC3=CC=C(C=C3)C(C)(C)C)C4=N[C@H](CO4)C(C)C
InChI
InChI=1S/C35H50N2O2/c1-23(2)29-21-38-31(36-29)35(32-37-30(22-39-32)24(3)4,19-25-11-15-27(16-12-25)33(5,6)7)20-26-13-17-28(18-14-26)34(8,9)10/h11-18,23-24,29-30H,19-22H2,1-10H3/t29-,30-/m1/s1
InChIKey
CAJRTABDQGWKNP-LOYHVIPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
164.15
TPSA
43.18
LogP / Solubility
WLOGP
7.96
MLOGP
7.04
XLogP3
9.3
Consensus LogP
8.1
Log S (ESOL)
-7.85
Class (ESOL)
Insoluble
Log S (Ali)
-9.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.31
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 1373431-65-2 (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one tosylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373431-65-2.gif)
![CAS 1373432-09-7 “(S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373432-09-7.gif)
![CAS 1373432-11-1 “(2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373432-11-1.gif)