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CAS 1363166-21-5 Ethyl 4-Boc-2-hoMoMorpholinecarboxylate molecular structure lightbox
CAS RN: 1363166-21-5

Ethyl 4-Boc-2-hoMoMorpholinecarboxylate

  • Product code: SSC-045232
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1363166-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

1363166-21-5 / 4-O-tert-butyl 2-O-ethyl 1,4-oxazepane-2,4-dicarboxylate

Standard CAS: 1363166-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363166-21-5
Multi CAS
No
Molecular Formula
C13H23NO5
Molecular Weight
273.330000
Exact Mass
273.157623
SMILES
CCOC(=O)C1CN(CCCO1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO5/c1-5-17-11(15)10-9-14(7-6-8-18-10)12(16)19-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey
NFMNWHFTGYMZQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
68.8
TPSA
65.07

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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