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CAS 145761-32-6 (5R,6S)-benzyl 3-(diMethoxyphosphoryl)-2-oxo-5,6-diphenylMorpholine-4-carboxylate molecular structure lightbox
CAS RN: 145761-32-6

(5R,6S)-benzyl 3-(diMethoxyphosphoryl)-2-oxo-5,6-diphenylMorpholine-4-carboxylate

  • Product code: SSC-056996
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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 145761-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

145761-32-6 / benzyl (5R,6S)-3-dimethoxyphosphoryl-2-oxo-5,6-diphenylmorpholine-4-carboxylate

Standard CAS: 145761-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145761-32-6
Multi CAS
No
Molecular Formula
C26H26NO7P
Molecular Weight
495.500000
Exact Mass
495.144689
SMILES
COP(=O)(C1C(=O)O[C@H]([C@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C26H26NO7P/c1-31-35(30,32-2)24-25(28)34-23(21-16-10-5-11-17-21)22(20-14-8-4-9-15-20)27(24)26(29)33-18-19-12-6-3-7-13-19/h3-17,22-24H,18H2,1-2H3/t22-,23+,24?/m1/s1
InChIKey
LXHVTCFBUYDBQV-NHIDMIJISA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
128.34
TPSA
91.37

LogP / Solubility

WLOGP
5.48
MLOGP
4.85
XLogP3
3.8
Consensus LogP
4.71
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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