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CAS 604786-74-5 Biotin-PEG11-Amine molecular structure lightbox
CAS RN: 604786-74-5

Biotin-PEG11-Amine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS604786-74-5
  • Purity/Analytical Methods: >99.0%
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604786-74-5 / N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Standard CAS: 604786-74-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
604786-74-5
Multi CAS
Yes
Molecular Formula
C34H66N4O13S
Molecular Weight
771.000000
Exact Mass
770.434709
InChI
InChI=1S/C34H66N4O13S/c35-5-7-41-9-11-43-13-15-45-17-19-47-21-23-49-25-27-51-28-26-50-24-22-48-20-18-46-16-14-44-12-10-42-8-6-36-32(39)4-2-1-3-31-33-30(29-52-31)37-34(40)38-33/h30-31,33H,1-29,35H2,(H,36,39)(H2,37,38,40)
InChIKey
SHPHAOSBFNWGAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.94
Rotatable bonds
40
H-bond acceptors
15
H-bond donors
4
Molar refractivity
195.03
TPSA
197.78

LogP / Solubility

WLOGP
-0.03
MLOGP
0.04
XLogP3
-2.5
Consensus LogP
-0.83
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.44

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
5.5

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