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CAS 1823885-81-9 Mal-PEG1-Bromide molecular structure lightbox
CAS RN: 1823885-81-9

Mal-PEG1-Bromide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-083944
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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 1823885-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1823885-81-9 / 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione

Standard CAS: 1823885-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823885-81-9
Multi CAS
No
Molecular Formula
C8H10BrNO3
Molecular Weight
248.070000
Exact Mass
246.984410
SMILES
C1=CC(=O)N(C1=O)CCOCCBr
InChI
InChI=1S/C8H10BrNO3/c9-3-5-13-6-4-10-7(11)1-2-8(10)12/h1-2H,3-6H2
InChIKey
RMLXDIKYASQPNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
50.47
TPSA
46.61

LogP / Solubility

WLOGP
0.32
MLOGP
0.29
XLogP3
1.2
Consensus LogP
0.6
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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