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CAS 1353011-95-6 Chloroacetamido-PEG4-NHS ester molecular structure lightbox
CAS RN: 1353011-95-6

Chloroacetamido-PEG4-NHS ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-043492
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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 1353011-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1353011-95-6 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1353011-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353011-95-6
Multi CAS
No
Molecular Formula
C17H27ClN2O9
Molecular Weight
438.900000
Exact Mass
438.140508
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCl
InChI
InChI=1S/C17H27ClN2O9/c18-13-14(21)19-4-6-26-8-10-28-12-11-27-9-7-25-5-3-17(24)29-20-15(22)1-2-16(20)23/h1-13H2,(H,19,21)
InChIKey
BPWFCYSNJLMFRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.76
Rotatable bonds
17
H-bond acceptors
9
H-bond donors
1
Molar refractivity
98.8
TPSA
129.7

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.49
XLogP3
-1.5
Consensus LogP
-0.86
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-5.82

Drug-likeness / Medicinal Chemistry

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

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