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CAS 1255942-12-1 DBCO-PEG4-NH-Boc molecular structure lightbox
CAS RN: 1255942-12-1

DBCO-PEG4-NH-Boc

Product Availability

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250502 100mg In stock Inquiry
Batchno.20250113 50mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260609 100mg Out of stock Inquiry
Batchno.20250919 250mg Out of stock Inquiry
Batchno.20260313 50mg Out of stock Inquiry
  • Product code: SSC-030356
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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 1255942-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1255942-12-1 / tert-butyl N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 1255942-12-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1255942-12-1
Multi CAS
No
Molecular Formula
C34H45N3O8
Molecular Weight
623.700000
Exact Mass
623.320665
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI
InChI=1S/C34H45N3O8/c1-34(2,3)45-33(40)36-17-19-42-21-23-44-25-24-43-22-20-41-18-15-31(38)35-16-14-32(39)37-26-29-10-5-4-8-27(29)12-13-28-9-6-7-11-30(28)37/h4-11H,14-26H2,1-3H3,(H,35,38)(H,36,40)
InChIKey
YUOUOEOEOWCRQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
2
Molar refractivity
169.81
TPSA
124.66

LogP / Solubility

WLOGP
3.42
MLOGP
3.06
XLogP3
2.2
Consensus LogP
2.89
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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