![CAS 2634687-56-0 Pyridine, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-4-methoxy-6-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-56-0.gif)
CAS RN: 2634687-56-0
Pyridine, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-4-methoxy-6-methyl-
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-123774
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 | Shanghai | Inquiry |
2634687-56-0 / (4S)-2-(4-methoxy-6-methyl-2-pyridinyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-56-0
Multi CAS
No
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
SMILES
CC1=CC(=CC(=N1)C2=N[C@H](CO2)C(C)C)OC
InChI
InChI=1S/C13H18N2O2/c1-8(2)12-7-17-13(15-12)11-6-10(16-4)5-9(3)14-11/h5-6,8,12H,7H2,1-4H3/t12-/m1/s1
InChIKey
DNTNQRRKJYXLMV-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
66.64
TPSA
43.71
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.5
Consensus LogP
2.21
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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