[email protected]
CAS 118949-62-5 2,6-Bis((S)-4-((S)-sec-butyl)-4,5-dihydrooxazol-2-yl)pyridine molecular structure lightbox
CAS RN: 118949-62-5

2,6-Bis((S)-4-((S)-sec-butyl)-4,5-dihydrooxazol-2-yl)pyridine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260625 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250531 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250214 1g In stock Shanghai Inquiry
Batchno.20250218 250mg In stock Shanghai Inquiry
Batchno.20250126 5g In stock Shanghai Inquiry
  • Product code: SSC-019166
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 118949-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

118949-62-5 / (4S)-4-[(2S)-butan-2-yl]-2-[6-[(4S)-4-[(2S)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

SCHEMBL1264655 | 2,6-Bis(4-(sec-butyl)-4,5-dihydrooxazol-2-yl)pyridine | 4-sec-butyl-2-[6-(4-sec-butyl-4,5-dihydrooxazol-2-yl)-2-pyridyl]-4,5-dihydrooxazole

Standard CAS: 118949-62-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118949-62-5
Multi CAS
Yes
Molecular Formula
C19H27N3O2
Molecular Weight
329.400000
Exact Mass
329.210327
SMILES
CC[C@H](C)[C@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@H](CO3)[C@@H](C)CC
InChI
InChI=1S/C19H27N3O2/c1-5-12(3)16-10-23-18(21-16)14-8-7-9-15(20-14)19-22-17(11-24-19)13(4)6-2/h7-9,12-13,16-17H,5-6,10-11H2,1-4H3/t12-,13-,16+,17+/m0/s1
InChIKey
LFHBTGPZRLYINH-WRFANHODSA-N
Synonyms
SCHEMBL1264655 2,6-Bis(4-(sec-butyl)-4,5-dihydrooxazol-2-yl)pyridine 4-sec-butyl-2-[6-(4-sec-butyl-4,5-dihydrooxazol-2-yl)-2-pyridyl]-4,5-dihydrooxazole

Computed Properties

Structural Parameters

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

LogP / Solubility

WLOGP
3.46
MLOGP
3.06
XLogP3
4
Consensus LogP
3.51
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
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
4.5

Customers Also Viewed

Get In Touch

Contact Us