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CAS 1354940-64-9 Ethyl 4-(Methylsulfonyl)-2-Morpholinobenzoate molecular structure lightbox
CAS RN: 1354940-64-9

Ethyl 4-(Methylsulfonyl)-2-Morpholinobenzoate

  • Product code: SSC-043922
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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 1354940-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1354940-64-9 / ethyl 4-methylsulfonyl-2-morpholin-4-ylbenzoate

Standard CAS: 1354940-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354940-64-9
Multi CAS
No
Molecular Formula
C14H19NO5S
Molecular Weight
313.370000
Exact Mass
313.098394
SMILES
CCOC(=O)C1=C(C=C(C=C1)S(=O)(=O)C)N2CCOCC2
InChI
InChI=1S/C14H19NO5S/c1-3-20-14(16)12-5-4-11(21(2,17)18)10-13(12)15-6-8-19-9-7-15/h4-5,10H,3,6-9H2,1-2H3
InChIKey
NBCRKUAGLWPIGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
78.54
TPSA
72.91

LogP / Solubility

WLOGP
1.1
MLOGP
0.98
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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