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CAS 1011268-29-3 Biotin-PEG2-C6-Azide molecular structure lightbox
CAS RN: 1011268-29-3

Biotin-PEG2-C6-Azide

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250316 100mg In stock Shanghai Inquiry
Batchno.20251004 1g In stock Shanghai Inquiry
Batchno.20250809 250mg In stock Shanghai Inquiry
Batchno.20260530 50mg In stock Shanghai Inquiry
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Batchno.20260123 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1011268-29-3
  • Purity/Analytical Methods: >99.0%
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1011268-29-3 / N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]-6-azidohexanamide

Biotin-PEG2-C6-Azide | N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]-6-azidohexanamide | 6-azido-N-(2-(2-(2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethoxy)ethoxy)ethyl)hexanamide

Standard CAS: 1011268-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1011268-29-3
Multi CAS
Yes
Molecular Formula
C22H39N7O5S
Molecular Weight
513.700000
Exact Mass
513.273339
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCNC(=O)CCCCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C22H39N7O5S/c23-29-26-9-5-1-2-7-19(30)24-10-12-33-14-15-34-13-11-25-20(31)8-4-3-6-18-21-17(16-35-18)27-22(32)28-21/h17-18,21H,1-16H2,(H,24,30)(H,25,31)(H2,27,28,32)/t17-,18-,21-/m0/s1
InChIKey
NYAZUAAGKILBHO-WFXMLNOXSA-N
Synonyms
Biotin-PEG2-C6-Azide N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]-6-azidohexanamide 6-azido-N-(2-(2-(2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethoxy)ethoxy)ethyl)hexanamide orb2279272 SCHEMBL30403099

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.86
Rotatable bonds
20
H-bond acceptors
7
H-bond donors
4
Molar refractivity
134.1
TPSA
166.55

LogP / Solubility

WLOGP
1.85
MLOGP
1.66
XLogP3
1
Consensus LogP
1.5
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.93
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)
-4.54

Drug-likeness / Medicinal Chemistry

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

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