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CAS 1258596-39-2 mPEG11-Br molecular structure lightbox
CAS RN: 1258596-39-2

mPEG11-Br

  • Product code: SSC-031168
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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 1258596-39-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1258596-39-2 / 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane

Standard CAS: 1258596-39-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1258596-39-2
Multi CAS
No
Molecular Formula
C23H47BrO11
Molecular Weight
579.500000
Exact Mass
578.230170
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C23H47BrO11/c1-25-4-5-27-8-9-29-12-13-31-16-17-33-20-21-35-23-22-34-19-18-32-15-14-30-11-10-28-7-6-26-3-2-24/h2-23H2,1H3
InChIKey
XCJORUQHPNZCAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
1
Rotatable bonds
32
H-bond acceptors
11
Molar refractivity
133.86
TPSA
101.53

LogP / Solubility

WLOGP
1.19
MLOGP
1.1
XLogP3
-0.6
Consensus LogP
0.56
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble

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)
-5.41

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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