[email protected]
CAS 118949-61-4 (S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine molecular structure lightbox
CAS RN: 118949-61-4

(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250918 100g Out of stock Inquiry
Batchno.20250126 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260330 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250708 25g In stock Shanghai Inquiry
Batchno.20250502 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-019165
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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • 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 118949-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

118949-61-4 / (4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

2,6-bis(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine | 4-isopropyl-2-[6-(4-isopropyl-4,5-dihydrooxazol-2-yl)-2-pyridyl]-4,5-dihydrooxazole | NSC649113

Standard CAS: 118949-61-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118949-61-4
Multi CAS
Yes
Molecular Formula
C17H23N3O2
Molecular Weight
301.400000
Exact Mass
301.179027
SMILES
CC(C)[C@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@H](CO3)C(C)C
InChI
InChI=1S/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3/t14-,15-/m1/s1
InChIKey
CSGQGLBCAHGJDR-HUUCEWRRSA-N
Synonyms
2,6-bis(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine 4-isopropyl-2-[6-(4-isopropyl-4,5-dihydrooxazol-2-yl)-2-pyridyl]-4,5-dihydrooxazole NSC649113 Pyridine, 2,6-bis[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-, rel- (R,R)-2,2'-(2,6-Pyridinediyl)bis(4-isopropyl-2-oxazoline)

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
86.47
TPSA
56.07

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
3.3
Consensus LogP
2.78
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
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)
-2.65

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us