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CAS 118949-63-6 2,6-Bis[(4S)-4-tert-butyloxazolin-2-yl]pyridine molecular structure lightbox
CAS RN: 118949-63-6

2,6-Bis[(4S)-4-tert-butyloxazolin-2-yl]pyridine

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250903 10g Out of stock Inquiry
Batchno.20250916 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250211 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251107 5g In stock Shanghai Inquiry
  • Product code: SSC-019167
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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 118949-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

118949-63-6 / (4S)-4-tert-butyl-2-[6-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

DTXSID20357346 | 2,6-Bis(4S)(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine | RefChem:248038

Standard CAS: 118949-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118949-63-6
Multi CAS
Yes
Molecular Formula
C19H27N3O2
Molecular Weight
329.400000
Exact Mass
329.210327
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@H](CO3)C(C)(C)C
InChI
InChI=1S/C19H27N3O2/c1-18(2,3)14-10-23-16(21-14)12-8-7-9-13(20-12)17-22-15(11-24-17)19(4,5)6/h7-9,14-15H,10-11H2,1-6H3/t14-,15-/m1/s1
InChIKey
UBWMXPSQXYYPJG-HUUCEWRRSA-N
Synonyms
DTXSID20357346 2,6-Bis(4S)(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine RefChem:248038 DTXCID30308405 2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
95.7
TPSA
56.07

LogP / Solubility

WLOGP
3.46
MLOGP
3.06
XLogP3
4.1
Consensus LogP
3.54
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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