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CAS 676230-14-1 FMOC-N-GAMMA-ETHYL-L-GLUTAMINE molecular structure lightbox
CAS RN: 676230-14-1

FMOC-N-GAMMA-ETHYL-L-GLUTAMINE

  • Product code: SSC-177327
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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 676230-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

676230-14-1 / (2S)-5-(ethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid

Standard CAS: 676230-14-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
676230-14-1
Multi CAS
Yes
Molecular Formula
C22H24N2O5
Molecular Weight
396.400000
Exact Mass
396.168522
InChI
InChI=1S/C22H24N2O5/c1-2-23-20(25)12-11-19(21(26)27)24-22(28)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,2,11-13H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t19-/m0/s1
InChIKey
AEOWYLMRDPXICX-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
107.55
TPSA
104.73

LogP / Solubility

WLOGP
2.89
MLOGP
2.57
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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
Yes
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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