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CAS 2452222-13-6 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 2452222-13-6

INDEX NAME NOT YET ASSIGNED

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-119190
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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 2452222-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2452222-13-6 / 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Standard CAS: 2452222-13-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2452222-13-6
Multi CAS
Yes
Molecular Formula
C21H30N2O2
Molecular Weight
342.500000
Exact Mass
342.230728
InChI
InChI=1S/C21H30N2O2/c1-14(2)17-12-24-19(22-17)21(5,11-16-9-7-6-8-10-16)20-23-18(13-25-20)15(3)4/h6-10,14-15,17-18H,11-13H2,1-5H3/t17-,18-/m0/s1
InChIKey
BBFBTUSLSAFMKW-ROUUACIJSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
102.28
TPSA
43.18

LogP / Solubility

WLOGP
4.14
MLOGP
3.66
XLogP3
4.6
Consensus LogP
4.13
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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