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CAS 1807534-85-5 Fmoc-PEG2-NHS ester molecular structure lightbox
CAS RN: 1807534-85-5

Fmoc-PEG2-NHS ester

  • Product code: SSC-081992
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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 1807534-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1807534-85-5 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoate

Standard CAS: 1807534-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807534-85-5
Multi CAS
No
Molecular Formula
C26H28N2O8
Molecular Weight
496.500000
Exact Mass
496.184566
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H28N2O8/c29-23-9-10-24(30)28(23)36-25(31)11-13-33-15-16-34-14-12-27-26(32)35-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,27,32)
InChIKey
MLMVUZTWJNGUEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
1
Molar refractivity
126.51
TPSA
120.47

LogP / Solubility

WLOGP
2.56
MLOGP
2.28
XLogP3
1.7
Consensus LogP
2.18
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble

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)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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