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CAS 199277-80-0 (S)-2-[4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine molecular structure lightbox
CAS RN: 199277-80-0

(S)-2-[4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250504 100mg In stock Shanghai Inquiry
Batchno.20250510 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251004 1g Out of stock Inquiry
Batchno.20250214 250mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-093815
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 199277-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

199277-80-0 / (4S)-4-tert-butyl-2-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-oxazole

Standard CAS: 199277-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199277-80-0
Multi CAS
No
Molecular Formula
C13H18N2O
Molecular Weight
218.290000
Exact Mass
218.141913
SMILES
CC1=NC(=CC=C1)C2=N[C@H](CO2)C(C)(C)C
InChI
InChI=1S/C13H18N2O/c1-9-6-5-7-10(14-9)12-15-11(8-16-12)13(2,3)4/h5-7,11H,8H2,1-4H3/t11-/m1/s1
InChIKey
NHWBZSGKOQHPDW-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
64.71
TPSA
34.48

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.9
Consensus LogP
2.58
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.22

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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