[email protected]
CAS 2112737-17-2 N-(Boc-PEG4)-NH-PEG4-t-butyl ester molecular structure lightbox
CAS RN: 2112737-17-2

N-(Boc-PEG4)-NH-PEG4-t-butyl ester

  • Product code: SSC-100860
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: 0.1g
  • 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 2112737-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

2112737-17-2 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2112737-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112737-17-2
Multi CAS
No
Molecular Formula
C30H60N2O12
Molecular Weight
640.800000
Exact Mass
640.414625
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C30H60N2O12/c1-29(2,3)43-27(33)7-11-35-15-19-39-23-24-40-20-16-36-12-8-31-9-13-37-17-21-41-25-26-42-22-18-38-14-10-32-28(34)44-30(4,5)6/h31H,7-26H2,1-6H3,(H,32,34)
InChIKey
AFDJSRZVXYKUQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.93
Rotatable bonds
30
H-bond acceptors
13
H-bond donors
2
Molar refractivity
164.12
TPSA
150.5

LogP / Solubility

WLOGP
1.97
MLOGP
1.78
XLogP3
0.1
Consensus LogP
1.28
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.06
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)
-5.23

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

Customers Also Viewed

Get In Touch

Contact Us