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CAS 518044-36-5 Mal-PEG5-t-butly ester molecular structure lightbox
CAS RN: 518044-36-5

Mal-PEG5-t-butly ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-158800
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 518044-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

518044-36-5 / tert-butyl 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 518044-36-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
518044-36-5
Multi CAS
No
Molecular Formula
C19H31NO8
Molecular Weight
401.500000
Exact Mass
401.204967
InChI
InChI=1S/C19H31NO8/c1-19(2,3)28-18(23)6-8-24-10-12-26-14-15-27-13-11-25-9-7-20-16(21)4-5-17(20)22/h4-5H,6-15H2,1-3H3
InChIKey
IYFQIVYGXSVHRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.74
Rotatable bonds
15
H-bond acceptors
8
Molar refractivity
99.6
TPSA
100.6

LogP / Solubility

WLOGP
0.71
MLOGP
0.65
XLogP3
-0.3
Consensus LogP
0.35
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.66
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)
-4.67

Drug-likeness / Medicinal Chemistry

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

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