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CAS 218594-01-5 3-(2-OXO-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 218594-01-5

3-(2-OXO-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250807 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-105311
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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: ＞97%
  • 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 218594-01-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

218594-01-5 / tert-butyl (3S)-3-formylmorpholine-4-carboxylate

Standard CAS: 218594-01-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
218594-01-5
Multi CAS
No
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
SMILES
CC(C)(C)OC(=O)N1CCOC[C@H]1C=O
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKey
MOLHQYMJBRBXAN-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.61
TPSA
55.84

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.3
Consensus LogP
0.61
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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