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CAS 1835759-79-9 Acid-PEG3-NHS ester molecular structure lightbox
CAS RN: 1835759-79-9

Acid-PEG3-NHS ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250922 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-084918
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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: 0.25g
  • 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 1835759-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shanghai Inquiry

1835759-79-9 / 3-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1835759-79-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1835759-79-9
Multi CAS
No
Molecular Formula
C14H21NO9
Molecular Weight
347.320000
Exact Mass
347.121631
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCC(=O)O
InChI
InChI=1S/C14H21NO9/c16-11-1-2-12(17)15(11)24-14(20)4-6-22-8-10-23-9-7-21-5-3-13(18)19/h1-10H2,(H,18,19)
InChIKey
ROYPWGXODZJYGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
1
Molar refractivity
76.51
TPSA
128.67

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.42
XLogP3
-1.8
Consensus LogP
-0.9
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
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)
-5.19

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
2.5

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