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CAS 312965-04-1 FMOC-COP molecular structure lightbox
CAS RN: 312965-04-1

FMOC-COP

  • Product code: SSC-136599
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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: 5g
  • 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 312965-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

312965-04-1 / 4-(9H-fluoren-9-ylmethoxycarbonyl)morpholine-2-carboxylic acid

Standard CAS: 312965-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312965-04-1
Multi CAS
No
Molecular Formula
C20H19NO5
Molecular Weight
353.400000
Exact Mass
353.126323
InChI
InChI=1S/C20H19NO5/c22-19(23)18-11-21(9-10-25-18)20(24)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,23)
InChIKey
TUZVFPRISNDQLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.02
TPSA
76.07

LogP / Solubility

WLOGP
2.72
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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)
-2.94

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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