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CAS 2353409-98-8 DBCO-PEG6-amine,DBCO-PEG6-NH2 molecular structure lightbox
CAS RN: 2353409-98-8

DBCO-PEG6-amine,DBCO-PEG6-NH2

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 100mg In stock Shanghai Inquiry
Batchno.20251023 10mg In stock Shanghai Inquiry
Batchno.20260403 250mg In stock Shanghai Inquiry
Batchno.20260103 25mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS2353409-98-8
  • Purity/Analytical Methods: >99.0%
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2353409-98-8 / N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide

Standard CAS: 2353409-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-98-8
Multi CAS
No
Molecular Formula
C33H45N3O8
Molecular Weight
611.700000
Exact Mass
611.320665
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C33H45N3O8/c34-13-15-39-17-19-41-21-23-43-25-26-44-24-22-42-20-18-40-16-14-35-32(37)11-12-33(38)36-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)36/h1-8H,11-27,34H2,(H,35,37)
InChIKey
SHIACZLTEDAJEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
23
H-bond acceptors
9
H-bond donors
2
Molar refractivity
166.27
TPSA
130.81

LogP / Solubility

WLOGP
1.89
MLOGP
1.71
XLogP3
0.2
Consensus LogP
1.27
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.96
Class (SILICOS-IT)
Insoluble

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)
-5.11

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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