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CAS 1352827-47-4 Fmoc-PEG3-NHS ester molecular structure lightbox
CAS RN: 1352827-47-4

Fmoc-PEG3-NHS ester

  • Product code: SSC-043389
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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 1352827-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1352827-47-4 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1352827-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352827-47-4
Multi CAS
No
Molecular Formula
C28H32N2O9
Molecular Weight
540.600000
Exact Mass
540.210781
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H32N2O9/c31-25-9-10-26(32)30(25)39-27(33)11-13-35-15-17-37-18-16-36-14-12-29-28(34)38-19-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,24H,9-19H2,(H,29,34)
InChIKey
KMYBRMLPVIWJEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
1
Molar refractivity
137.32
TPSA
129.7

LogP / Solubility

WLOGP
2.57
MLOGP
2.3
XLogP3
1.6
Consensus LogP
2.16
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.11
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)
-4.19

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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