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CAS 2100306-63-4 N-(Boc-PEG1)-N-bis(PEG2-propargyl) molecular structure lightbox
CAS RN: 2100306-63-4

N-(Boc-PEG1)-N-bis(PEG2-propargyl)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-099874
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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
  • 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 2100306-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

2100306-63-4 / tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate

Standard CAS: 2100306-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2100306-63-4
Multi CAS
No
Molecular Formula
C23H40N2O7
Molecular Weight
456.600000
Exact Mass
456.283552
SMILES
CC(C)(C)OC(=O)NCCOCCN(CCOCCOCC#C)CCOCCOCC#C
InChI
InChI=1S/C23H40N2O7/c1-6-12-27-18-20-30-16-10-25(11-17-31-21-19-28-13-7-2)9-15-29-14-8-24-22(26)32-23(3,4)5/h1-2H,8-21H2,3-5H3,(H,24,26)
InChIKey
MGRYPZQWMHNWAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.78
Rotatable bonds
20
H-bond acceptors
8
H-bond donors
1
Molar refractivity
122.44
TPSA
87.72

LogP / Solubility

WLOGP
1.16
MLOGP
1.05
XLogP3
0.5
Consensus LogP
0.9
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.68

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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