CAS 112741-50-1 tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate molecular structure

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CAS RN: 112741-50-1

tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

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6 package records6 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251211	10g	In stock	Shanghai	Inquiry
Batchno.20250918	1g	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20260417	200mg / 1g / 5g	Confirm by inquiry	Shanghai	Inquiry
Batchno.20260407	250mg	In stock	Shanghai, Tianjin	Inquiry
Batchno.20250629	25g	In stock	Shanghai	Inquiry
Batchno.20260120	5g	In stock	Shanghai	Inquiry

Product code: SSC-013065

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Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g
Available purity: ≥98%
Inventory rows with stock: 2
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Recorded sizes, purity and stock details for CAS 112741-50-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥98%	5 In Stock	Beijing	Inquiry
0.25g	≥98%	1 In Stock	Shenzhen	Inquiry
5g	≥98%	0 Out of Stock	Shanghai	Inquiry
10g	≥98%	0 Out of Stock	Shenzhen	Inquiry
25g	≥98%	0 Out of Stock	Shenzhen	Inquiry

112741-50-1 / tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

RefChem:410000 | 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate | (2S,3R)-Tert-butyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate

Standard CAS: 112741-50-1 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

112741-50-1

Multi CAS

Yes

Molecular Formula

C21H23NO4

Molecular Weight

353.400000

Exact Mass

353.162708

SMILES

CC(C)(C)OC(=O)N1CC(=O)O[C@H]([C@H]1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m1/s1

InChIKey

MRUKRSQUUNYOFK-MOPGFXCFSA-N

Synonyms

RefChem:410000 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate (2S,3R)-Tert-butyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.33

Rotatable bonds

H-bond acceptors

Molar refractivity

97.4

TPSA

55.84

LogP / Solubility

WLOGP

4.26

MLOGP

3.77

XLogP3

3.9

Consensus LogP

3.98

Log S (ESOL)

-4.93

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.54

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.74

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.85

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

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