[email protected]
CAS 1058691-77-2 m-PEG7-aldehyde molecular structure lightbox
CAS RN: 1058691-77-2

m-PEG7-aldehyde

  • Product code: SSC-007533
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: ≥95%
  • 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 1058691-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1058691-77-2 / 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal

m-PEG7-aldehyde | m-PEG6-CH2CH2CHO | mPEG7-CH2CH2CHO

Standard CAS: 1058691-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1058691-77-2
Multi CAS
No
Molecular Formula
C16H32O8
Molecular Weight
352.420000
Exact Mass
352.209718
SMILES
COCCOCCOCCOCCOCCOCCOCCC=O
InChI
InChI=1S/C16H32O8/c1-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-2-3-17/h3H,2,4-16H2,1H3
InChIKey
OFRPYQRIPDCCAA-UHFFFAOYSA-N
Synonyms
m-PEG7-aldehyde m-PEG6-CH2CH2CHO mPEG7-CH2CH2CHO MFCD28976707 M-PEG7-CHO

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.94
Rotatable bonds
21
H-bond acceptors
8
Molar refractivity
87.47
TPSA
81.68

LogP / Solubility

WLOGP
0.32
MLOGP
0.3
XLogP3
-1.4
Consensus LogP
-0.26
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

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)
-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