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CAS 2128735-26-0 N-Mal-N-bis(PEG2-NH-Boc) molecular structure lightbox
CAS RN: 2128735-26-0

N-Mal-N-bis(PEG2-NH-Boc)

  • Product code: SSC-101683
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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: ＞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 2128735-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

2128735-26-0 / tert-butyl N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2128735-26-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2128735-26-0
Multi CAS
No
Molecular Formula
C29H50N4O11
Molecular Weight
630.700000
Exact Mass
630.347608
SMILES
CC(C)(C)OC(=O)NCCOCCOCCN(CCOCCOCCNC(=O)OC(C)(C)C)C(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C29H50N4O11/c1-28(2,3)43-26(37)30-10-15-39-19-21-41-17-13-32(23(34)9-12-33-24(35)7-8-25(33)36)14-18-42-22-20-40-16-11-31-27(38)44-29(4,5)6/h7-8H,9-22H2,1-6H3,(H,30,37)(H,31,38)
InChIKey
YVJUWISEQMFTOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.76
Rotatable bonds
21
H-bond acceptors
11
H-bond donors
2
Molar refractivity
158.81
TPSA
171.27

LogP / Solubility

WLOGP
1.25
MLOGP
1.15
XLogP3
-0.3
Consensus LogP
0.7
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.31
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.68

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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