CAS RN: 914462-92-3
Rolapitant hydrochloride hydrate
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 25mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260513 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260413 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260313 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250207 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251001 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-204591
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
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
914462-92-3 / (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one;hydrate;hydrochloride
Basic Information
CAS
914462-92-3
Multi CAS
Yes
Molecular Formula
C25H29CLF6N2O3
Molecular Weight
555.000000
Exact Mass
554.177090
InChI
InChI=1S/C25H26F6N2O2.ClH.H2O/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);1H;1H2/t16-,22-,23-;;/m1../s1
InChIKey
GZQWMYVDLCUBQX-WVZIYJGPSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
127.14
TPSA
81.86
LogP / Solubility
WLOGP
5.33
MLOGP
4.73
XLogP3
5.33
Consensus LogP
5.13
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7
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