![CAS 199277-77-5 Pyridine, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-6-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/199277-77-5.gif)
CAS RN: 199277-77-5
Pyridine, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-6-methyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-093814
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 | Beijing | Inquiry |
199277-77-5 / (4S)-4-benzyl-2-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
Basic Information
CAS
199277-77-5
Multi CAS
No
Molecular Formula
C16H16N2O
Molecular Weight
252.310000
Exact Mass
252.126263
SMILES
CC1=NC(=CC=C1)C2=N[C@H](CO2)CC3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c1-12-6-5-9-15(17-12)16-18-14(11-19-16)10-13-7-3-2-4-8-13/h2-9,14H,10-11H2,1H3/t14-/m0/s1
InChIKey
DERMNSMASFMDOJ-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
75.4
TPSA
34.48
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
3.1
Consensus LogP
2.78
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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1-(2,3,4-TRIMETHOXYBENZYL)-1H-PYRAZOL-5-AMINE
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![CAS 199277-80-0 (S)-2-[4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/199277-80-0.gif)
