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CAS 215654-61-8 [2-[(4-Morpholinylcarbonyl)aMino]ethyl]-carbaMic acid, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 215654-61-8

[2-[(4-Morpholinylcarbonyl)aMino]ethyl]-carbaMic acid, 1,1-diMethylethyl ester

  • Product code: SSC-103363
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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 215654-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

215654-61-8 / tert-butyl N-[2-(morpholine-4-carbonylamino)ethyl]carbamate

Standard CAS: 215654-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215654-61-8
Multi CAS
No
Molecular Formula
C12H23N3O4
Molecular Weight
273.330000
Exact Mass
273.168856
SMILES
CC(C)(C)OC(=O)NCCNC(=O)N1CCOCC1
InChI
InChI=1S/C12H23N3O4/c1-12(2,3)19-11(17)14-5-4-13-10(16)15-6-8-18-9-7-15/h4-9H2,1-3H3,(H,13,16)(H,14,17)
InChIKey
RBYFBVIKKGFPPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.03
TPSA
79.9

LogP / Solubility

WLOGP
0.55
MLOGP
0.5
XLogP3
-0.1
Consensus LogP
0.32
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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