![CAS 131380-86-4 Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-[(1S)-1-methylpropyl]-, (4S,4’S)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/131380-86-4.gif)
CAS RN: 131380-86-4
Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-[(1S)-1-methylpropyl]-, (4S,4’S)- (9CI)
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250730 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260520 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260228 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260622 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260120 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS131380-86-4
- Purity/Analytical Methods: >99.0%
131380-86-4 / (4S)-4-[(2S)-butan-2-yl]-2-[3-[(4S)-4-[(2S)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
131380-86-4
Multi CAS
No
Molecular Formula
C20H28N2O2
Molecular Weight
328.400000
Exact Mass
328.215078
SMILES
CC[C@H](C)[C@H]1COC(=N1)C2=CC(=CC=C2)C3=N[C@H](CO3)[C@@H](C)CC
InChI
InChI=1S/C20H28N2O2/c1-5-13(3)17-11-23-19(21-17)15-8-7-9-16(10-15)20-22-18(12-24-20)14(4)6-2/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3/t13-,14-,17+,18+/m0/s1
InChIKey
PZPUGMDGPIPICI-LBTBCDHLSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
97.91
TPSA
43.18
LogP / Solubility
WLOGP
4.07
MLOGP
3.6
XLogP3
4.4
Consensus LogP
4.02
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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
4.5
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