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CAS 2128735-23-7 Fmoc-NH-ethyl-SS-propionic NHS ester molecular structure lightbox
CAS RN: 2128735-23-7

Fmoc-NH-ethyl-SS-propionic NHS ester

  • Product code: SSC-101681
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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 2128735-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2128735-23-7 / (2,5-dioxopyrrolidin-1-yl) 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyldisulfanyl]propanoate

Standard CAS: 2128735-23-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2128735-23-7
Multi CAS
No
Molecular Formula
C24H24N2O6S2
Molecular Weight
500.600000
Exact Mass
500.107579
SMILES
C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H24N2O6S2/c27-21-9-10-22(28)26(21)32-23(29)11-13-33-34-14-12-25-24(30)31-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,25,30)
InChIKey
XTOJUNPXMJPADI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
1
Molar refractivity
129.78
TPSA
102.01

LogP / Solubility

WLOGP
3.9
MLOGP
3.47
XLogP3
2.7
Consensus LogP
3.36
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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