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CAS 1415800-35-9 Maleimide-C2-Amido-PEG4-Carboxylic Acid tert-Butyl Ester molecular structure lightbox
CAS RN: 1415800-35-9

Maleimide-C2-Amido-PEG4-Carboxylic Acid tert-Butyl Ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 50mg Out of stock 15 business days Inquiry
  • Product code: SSC-051931
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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: 0.25g
  • 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 1415800-35-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1415800-35-9 / tert-butyl 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1415800-35-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415800-35-9
Multi CAS
No
Molecular Formula
C22H36N2O9
Molecular Weight
472.500000
Exact Mass
472.242081
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C22H36N2O9/c1-22(2,3)33-21(28)7-10-29-12-14-31-16-17-32-15-13-30-11-8-23-18(25)6-9-24-19(26)4-5-20(24)27/h4-5H,6-17H2,1-3H3,(H,23,25)
InChIKey
XYOMHLPGMUCBGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.73
Rotatable bonds
18
H-bond acceptors
9
H-bond donors
1
Molar refractivity
117.22
TPSA
129.7

LogP / Solubility

WLOGP
0.22
MLOGP
0.22
XLogP3
-1.1
Consensus LogP
-0.22
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.07
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)
-5.45

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

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