![CAS 1800190-39-9 Pyridine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-(phenylmethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1800190-39-9.gif)
CAS RN: 1800190-39-9
Pyridine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-(phenylmethyl)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250405 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260512 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251031 | 1g | In stock | Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20251124 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS1800190-39-9
- Purity/Analytical Methods: >99.0%
1800190-39-9 / (4S)-2-(6-benzyl-2-pyridinyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1800190-39-9
Multi CAS
No
Molecular Formula
C19H22N2O
Molecular Weight
294.400000
Exact Mass
294.173213
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=CC=CC(=N2)CC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-19(2,3)17-13-22-18(21-17)16-11-7-10-15(20-16)12-14-8-5-4-6-9-14/h4-11,17H,12-13H2,1-3H3/t17-/m1/s1
InChIKey
HJHMNYMYKJKHGA-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
89.22
TPSA
34.48
LogP / Solubility
WLOGP
3.86
MLOGP
3.41
XLogP3
4.4
Consensus LogP
3.89
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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