[email protected]
CAS 1173022-16-6 RS-102895 hydrochloride molecular structure lightbox
CAS RN: 1173022-16-6

RS-102895 hydrochloride

Product Availability

Choose a grade to view its available package options.

7 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250206 100mg Out of stock Inquiry
Batchno.20260226 10mg In stock Shanghai Inquiry
Batchno.20251120 10mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
Batchno.20251002 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260519 250mg Out of stock Inquiry
Batchno.20250421 50mg Out of stock Inquiry
Batchno.20250409 5mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-017163
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 1173022-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1173022-16-6 / 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride

RS 102895 hydrochloride | RS102895 hydrochloride | RS-102895 Hydrochloride

Standard CAS: 1173022-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1173022-16-6
Multi CAS
Yes
Molecular Formula
C21H22ClF3N2O2
Molecular Weight
426.900000
Exact Mass
426.132190
SMILES
C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl
InChI
InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H
InChIKey
KRRISOFSWVKYBF-UHFFFAOYSA-N
Synonyms
RS 102895 hydrochloride RS102895 hydrochloride RS-102895 Hydrochloride 1'-(4-(Trifluoromethyl)phenethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride abaucin

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
106.29
TPSA
41.57

LogP / Solubility

WLOGP
5.22
MLOGP
4.62
XLogP3
5.22
Consensus LogP
5.02
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us