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CAS 885273-95-0 4-FMOC-3-CARBOXYMETHYL-MORPHOLINE molecular structure lightbox
CAS RN: 885273-95-0

4-FMOC-3-CARBOXYMETHYL-MORPHOLINE

  • Product code: SSC-199346
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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 885273-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

885273-95-0 / 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)morpholin-3-yl]acetic acid

Standard CAS: 885273-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885273-95-0
Multi CAS
No
Molecular Formula
C21H21NO5
Molecular Weight
367.400000
Exact Mass
367.141973
InChI
InChI=1S/C21H21NO5/c23-20(24)11-14-12-26-10-9-22(14)21(25)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)
InChIKey
YSUBDIHIMSHFMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.63
TPSA
76.07

LogP / Solubility

WLOGP
3.11
MLOGP
2.76
XLogP3
2.4
Consensus LogP
2.76
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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