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CAS 1146629-74-4 (R)-2-(bis(3,5-bis(trifluoroMethyl)phenyl)(tert-butyldiMethylsilyloxy)Methyl)pyrrolidine molecular structure lightbox
CAS RN: 1146629-74-4

(R)-2-(bis(3,5-bis(trifluoroMethyl)phenyl)(tert-butyldiMethylsilyloxy)Methyl)pyrrolidine

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250619 1g In stock Shanghai Inquiry
Batchno.20260630 250mg In stock Shanghai Inquiry
Batchno.20260209 5g In stock Shanghai Inquiry
  • Product code: SSC-014356
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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 1146629-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1146629-74-4 / [bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilane

SCHEMBL13243684 | (S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl]pyrrolidine | ZLULOCHUEDLXQY-UHFFFAOYSA-N

Standard CAS: 1146629-74-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1146629-74-4
Multi CAS
Yes
Molecular Formula
C27H29F12NOSi
Molecular Weight
639.600000
Exact Mass
639.182679
SMILES
CC(C)(C)[Si](C)(C)OC([C@H]1CCCN1)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C27H29F12NOSi/c1-22(2,3)42(4,5)41-23(21-7-6-8-40-21,15-9-17(24(28,29)30)13-18(10-15)25(31,32)33)16-11-19(26(34,35)36)14-20(12-16)27(37,38)39/h9-14,21,40H,6-8H2,1-5H3/t21-/m1/s1
InChIKey
ZLULOCHUEDLXQY-OAQYLSRUSA-N
Synonyms
SCHEMBL13243684 (S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl]pyrrolidine ZLULOCHUEDLXQY-UHFFFAOYSA-N MFCD22200558 SY223980

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
132.98
TPSA
21.26

LogP / Solubility

WLOGP
9.78
MLOGP
8.66
XLogP3
9.78
Consensus LogP
9.41
Log S (ESOL)
-9.85
Class (ESOL)
Insoluble
Log S (Ali)
-11.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.53
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)
0.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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