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CAS 885273-93-8 3-CARBOXYMETHYL-MORPHOLINE-4-CARBOXYLIC ACID BENZYL ESTER molecular structure lightbox
CAS RN: 885273-93-8

3-CARBOXYMETHYL-MORPHOLINE-4-CARBOXYLIC ACID BENZYL ESTER

  • Product code: SSC-199345
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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 885273-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

885273-93-8 / 2-(4-phenylmethoxycarbonylmorpholin-3-yl)acetic acid

Standard CAS: 885273-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885273-93-8
Multi CAS
No
Molecular Formula
C14H17NO5
Molecular Weight
279.290000
Exact Mass
279.110673
InChI
InChI=1S/C14H17NO5/c16-13(17)8-12-10-19-7-6-15(12)14(18)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKey
LPLJSOYTOLXMBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.19
TPSA
76.07

LogP / Solubility

WLOGP
1.5
MLOGP
1.33
XLogP3
0.8
Consensus LogP
1.21
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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