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CAS 475591-59-4 Boc-NH-PEG2-NH-Boc molecular structure lightbox
CAS RN: 475591-59-4

Boc-NH-PEG2-NH-Boc

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-154540
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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: 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 475591-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

475591-59-4 / tert-butyl N-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 475591-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
475591-59-4
Multi CAS
No
Molecular Formula
C16H32N2O6
Molecular Weight
348.430000
Exact Mass
348.226037
InChI
InChI=1S/C16H32N2O6/c1-15(2,3)23-13(19)17-7-9-21-11-12-22-10-8-18-14(20)24-16(4,5)6/h7-12H2,1-6H3,(H,17,19)(H,18,20)
InChIKey
IBOKAWABMPUDFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.88
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
90.11
TPSA
95.12

LogP / Solubility

WLOGP
2.07
MLOGP
1.84
XLogP3
1.3
Consensus LogP
1.74
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.72
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)
-3.38

Drug-likeness / Medicinal Chemistry

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

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