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CAS 2097800-27-4 Ethyl 4-Ethylthiomorpholine-2-carboxylate molecular structure lightbox
CAS RN: 2097800-27-4

Ethyl 4-Ethylthiomorpholine-2-carboxylate

  • Product code: SSC-099578
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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, 1g, 5g, 0.25g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 2097800-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 4 In Stock Shanghai Inquiry
10g ≥95% 3 In Stock Hong Kong Inquiry

2097800-27-4 / ethyl 4-ethylthiomorpholine-2-carboxylate

Standard CAS: 2097800-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097800-27-4
Multi CAS
No
Molecular Formula
C9H17NO2S
Molecular Weight
203.300000
Exact Mass
203.098000
SMILES
CCN1CCSC(C1)C(=O)OCC
InChI
InChI=1S/C9H17NO2S/c1-3-10-5-6-13-8(7-10)9(11)12-4-2/h8H,3-7H2,1-2H3
InChIKey
GXNPDXJKHDTPFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
54.99
TPSA
29.54

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
1.4
Consensus LogP
1.09
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

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

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