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CAS 1835759-75-5 t-Butoxycarbonyl-PEG4-NHS ester molecular structure lightbox
CAS RN: 1835759-75-5

t-Butoxycarbonyl-PEG4-NHS ester

  • Product code: SSC-084916
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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 1835759-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1835759-75-5 / tert-butyl 3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1835759-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1835759-75-5
Multi CAS
No
Molecular Formula
C20H33NO10
Molecular Weight
447.500000
Exact Mass
447.210446
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C20H33NO10/c1-20(2,3)30-18(24)6-8-26-10-12-28-14-15-29-13-11-27-9-7-19(25)31-21-16(22)4-5-17(21)23/h4-15H2,1-3H3
InChIKey
QYNINGPFVBXEGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.8
Rotatable bonds
16
H-bond acceptors
10
Molar refractivity
105.53
TPSA
126.9

LogP / Solubility

WLOGP
0.78
MLOGP
0.72
XLogP3
-0.6
Consensus LogP
0.3
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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