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CAS 100516-54-9 Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate molecular structure lightbox
CAS RN: 100516-54-9

Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250410 10g In stock Shanghai Inquiry
Batchno.20250702 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260426 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251107 25g In stock Shanghai Inquiry
Batchno.20250401 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-001097
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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: ≥95%
  • 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 100516-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

100516-54-9 / benzyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine | RefChem:397531 | 625-154-1

Standard CAS: 100516-54-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100516-54-9
Multi CAS
Yes
Molecular Formula
C24H21NO4
Molecular Weight
387.400000
Exact Mass
387.147058
SMILES
C1C(=O)O[C@@H]([C@@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m0/s1
InChIKey
HECRUWTZAMPQOS-XZOQPEGZSA-N
Synonyms
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine RefChem:397531 625-154-1 (2R,3S)-Benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
107.79
TPSA
55.84

LogP / Solubility

WLOGP
4.66
MLOGP
4.13
XLogP3
4.4
Consensus LogP
4.4
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
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)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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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