[email protected]
CAS 948595-00-4 (R)-Bis[3,5-bis(trifluoromethyl)phenyl](pyrrolidin-2-yl)methanol molecular structure lightbox
CAS RN: 948595-00-4

(R)-Bis[3,5-bis(trifluoromethyl)phenyl](pyrrolidin-2-yl)methanol

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 1g In stock Inquiry
Batchno.20250808 25g In stock Inquiry
Batchno.20251127 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 1g In stock Tianjin, Wuhan Inquiry
Batchno.20251222 25g In stock Shenzhen Inquiry
Batchno.20260630 5g In stock Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260225 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250426 25g In stock Shanghai, Chengdu Inquiry
Batchno.20251113 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-210069
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 25g, 10g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 948595-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry
25g >98% 1 In Stock Beijing Inquiry
10g >98% 0 Out of Stock Shenzhen Inquiry

948595-00-4 / bis[3,5-bis(trifluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methanol

Standard CAS: 948595-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
948595-00-4
Multi CAS
Yes
Molecular Formula
C21F12H15NO
Molecular Weight
525.300000
Exact Mass
525.096202
InChI
InChI=1S/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/m0/s1
InChIKey
ITXPGQOGEYWAKW-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
96.92
TPSA
32.26

LogP / Solubility

WLOGP
6.75
MLOGP
5.98
XLogP3
6.2
Consensus LogP
6.31
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
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)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us