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CAS 1251903-85-1 Fmoc-3-(1-Morpholinyl)-L-Ala-OH molecular structure lightbox
CAS RN: 1251903-85-1

Fmoc-3-(1-Morpholinyl)-L-Ala-OH

  • Product code: SSC-029893
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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 1251903-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

1251903-85-1 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-morpholin-4-ylpropanoic acid

Standard CAS: 1251903-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251903-85-1
Multi CAS
No
Molecular Formula
C22H24N2O5
Molecular Weight
396.400000
Exact Mass
396.168522
SMILES
C1COCCN1C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H24N2O5/c25-21(26)20(13-24-9-11-28-12-10-24)23-22(27)29-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19-20H,9-14H2,(H,23,27)(H,25,26)/t20-/m0/s1
InChIKey
FORMPPIZRSYWEP-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.89
TPSA
88.1

LogP / Solubility

WLOGP
2.31
MLOGP
2.06
XLogP3
0.1
Consensus LogP
1.49
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

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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