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CAS 1051374-19-6 (R)-4-[(Tritylthio)methyl]oxazolidine-2,5-dione molecular structure lightbox
CAS RN: 1051374-19-6

(R)-4-[(Tritylthio)methyl]oxazolidine-2,5-dione

  • Product code: SSC-006873
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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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 1051374-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

1051374-19-6 / (4R)-4-(tritylsulfanylmethyl)-1,3-oxazolidine-2,5-dione

(R)-4-[(Tritylthio)methyl]oxazolidine-2,5-dione | MFCD31630312 | (R)-4-((Tritylthio)methyl)oxazolidine-2,5-dione

Standard CAS: 1051374-19-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1051374-19-6
Multi CAS
Yes
Molecular Formula
C23H19NO3S
Molecular Weight
389.500000
Exact Mass
389.108565
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@H]4C(=O)OC(=O)N4
InChI
InChI=1S/C23H19NO3S/c25-21-20(24-22(26)27-21)16-28-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,24,26)/t20-/m0/s1
InChIKey
CMOHSMWDOMUIOJ-FQEVSTJZSA-N
Synonyms
(R)-4-[(Tritylthio)methyl]oxazolidine-2,5-dione MFCD31630312 (R)-4-((Tritylthio)methyl)oxazolidine-2,5-dione C23H19NO3S SCHEMBL4403968

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
110.08
TPSA
55.4

LogP / Solubility

WLOGP
4.35
MLOGP
3.85
XLogP3
4.9
Consensus LogP
4.37
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
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)
-2.01

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

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