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CAS 1238189-11-1 mPEG16-Br molecular structure lightbox
CAS RN: 1238189-11-1

mPEG16-Br

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 1g Out of stock 15 business days Inquiry
  • Product code: SSC-027490
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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 1238189-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1238189-11-1 / 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane

Standard CAS: 1238189-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1238189-11-1
Multi CAS
No
Molecular Formula
C33H67BrO16
Molecular Weight
799.800000
Exact Mass
798.361250
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C33H67BrO16/c1-35-4-5-37-8-9-39-12-13-41-16-17-43-20-21-45-24-25-47-28-29-49-32-33-50-31-30-48-27-26-46-23-22-44-19-18-42-15-14-40-11-10-38-7-6-36-3-2-34/h2-33H2,1H3
InChIKey
PUSVEZBERBDFDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
1
Rotatable bonds
47
H-bond acceptors
16
Molar refractivity
187.95
TPSA
147.68

LogP / Solubility

WLOGP
1.28
MLOGP
1.2
XLogP3
-1.4
Consensus LogP
0.36
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.56
Class (SILICOS-IT)
Insoluble

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)
-6.69

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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