[email protected]
CAS 1056881-04-9 25-Bromo-2,5,8,11,14,17,20,23-octaoxapentacosane molecular structure lightbox
CAS RN: 1056881-04-9

25-Bromo-2,5,8,11,14,17,20,23-octaoxapentacosane

  • Product code: SSC-007404
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1056881-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1056881-04-9 / 1-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane

m-PEG8-bromide | m-PEG8-Br | mPEG8-Br

Standard CAS: 1056881-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1056881-04-9
Multi CAS
No
Molecular Formula
C17H35BrO8
Molecular Weight
447.400000
Exact Mass
446.151530
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C17H35BrO8/c1-19-4-5-21-8-9-23-12-13-25-16-17-26-15-14-24-11-10-22-7-6-20-3-2-18/h2-17H2,1H3
InChIKey
CJXJMRATZFVXNX-UHFFFAOYSA-N
Synonyms
m-PEG8-bromide m-PEG8-Br mPEG8-Br 25-bromo-2,5,8,11,14,17,20,23-octaoxapentacosane MFCD31380391

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
23
H-bond acceptors
8
Molar refractivity
101.4
TPSA
73.84

LogP / Solubility

WLOGP
1.14
MLOGP
1.04
XLogP3
-0.2
Consensus LogP
0.66
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble

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)
-4.64

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us