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CAS 105526-85-0 (S)-(+)-5-(TRITYLOXYMETHYL)-2-PYRROLIDONE molecular structure lightbox
CAS RN: 105526-85-0

(S)-(+)-5-(TRITYLOXYMETHYL)-2-PYRROLIDONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-007245
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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 105526-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

105526-85-0 / (5S)-5-(trityloxymethyl)pyrrolidin-2-one

(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone | DTXSID70369959 | RefChem:210984

Standard CAS: 105526-85-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105526-85-0
Multi CAS
Yes
Molecular Formula
C24H23NO2
Molecular Weight
357.400000
Exact Mass
357.172879
SMILES
C1CC(=O)N[C@@H]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H23NO2/c26-23-17-16-22(25-23)18-27-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26)/t22-/m0/s1
InChIKey
FQSSRLVFPQIRJK-QFIPXVFZSA-N
Synonyms
(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone DTXSID70369959 RefChem:210984 DTXCID80320995 624-003-7

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
106.32
TPSA
38.33

LogP / Solubility

WLOGP
4.27
MLOGP
3.78
XLogP3
4.2
Consensus LogP
4.08
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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