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CAS 956494-20-5 Biotin-PEG11-Azide molecular structure lightbox
CAS RN: 956494-20-5

Biotin-PEG11-Azide

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS956494-20-5
  • Purity/Analytical Methods: >99.0%
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956494-20-5 / N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)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: 956494-20-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
956494-20-5
Multi CAS
Yes
Molecular Formula
C34H64N6O13S
Molecular Weight
797.000000
Exact Mass
796.425207
InChI
InChI=1S/C34H64N6O13S/c35-40-37-6-8-44-10-12-46-14-16-48-18-20-50-22-24-52-26-28-53-27-25-51-23-21-49-19-17-47-15-13-45-11-9-43-7-5-36-32(41)4-2-1-3-31-33-30(29-54-31)38-34(42)39-33/h30-31,33H,1-29H2,(H,36,41)(H2,38,39,42)
InChIKey
WETRQYMCASPBIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Fraction Csp3
0.94
Rotatable bonds
41
H-bond acceptors
15
H-bond donors
3
Molar refractivity
199.99
TPSA
220.52

LogP / Solubility

WLOGP
1.32
MLOGP
1.23
XLogP3
-0.6
Consensus LogP
0.65
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.86
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.64

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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