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CAS 1353011-78-5 Bromoacetamido-PEG2- NHS ester molecular structure lightbox
CAS RN: 1353011-78-5

Bromoacetamido-PEG2- NHS ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 1g Out of stock 15 business days Inquiry
  • Product code: SSC-043489
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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: 0.1g
  • 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 1353011-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Beijing Inquiry

1353011-78-5 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]propanoate

Standard CAS: 1353011-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353011-78-5
Multi CAS
No
Molecular Formula
C13H19BrN2O7
Molecular Weight
395.200000
Exact Mass
394.037560
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)CBr
InChI
InChI=1S/C13H19BrN2O7/c14-9-10(17)15-4-6-22-8-7-21-5-3-13(20)23-16-11(18)1-2-12(16)19/h1-9H2,(H,15,17)
InChIKey
HDIXVXMKIWXBFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.69
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
1
Molar refractivity
80.24
TPSA
111.24

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.39
XLogP3
-1
Consensus LogP
-0.62
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-5.47

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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