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CAS 552292-08-7 Rolapitant molecular structure lightbox
CAS RN: 552292-08-7

Rolapitant

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260123 100mg In stock Shanghai Inquiry
Batchno.20251228 10mg In stock Shanghai Inquiry
Batchno.20250101 1g In stock Shanghai Inquiry
Batchno.20251203 250mg In stock Shanghai Inquiry
Batchno.20250830 25mg In stock Shanghai Inquiry
Batchno.20250627 50mg In stock Shanghai Inquiry
Batchno.20251217 5mg / 25mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260624 1ml In stock Inquiry
  • Product code: SSC-163066
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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: 0.25g
  • Available purity: ≥95%
  • 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 552292-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

552292-08-7 / (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one

Standard CAS: 552292-08-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
552292-08-7
Multi CAS
Yes
Molecular Formula
C25F6H26N2O2
Molecular Weight
500.500000
Exact Mass
500.189847
InChI
InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1
InChIKey
FIVSJYGQAIEMOC-ZGNKEGEESA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.28
TPSA
50.36

LogP / Solubility

WLOGP
5.73
MLOGP
5.08
XLogP3
4.4
Consensus LogP
5.07
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

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