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CAS 1349190-76-6 5-(Biotinamido)pentylazide – B4081 molecular structure lightbox
CAS RN: 1349190-76-6

5-(Biotinamido)pentylazide – B4081

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 1mg / 5mg Out of stock 30 business days Inquiry
  • Product code: SSC-042754
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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: 0.1g
  • 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 1349190-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1349190-76-6 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(5-azidopentyl)pentanamide

Standard CAS: 1349190-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1349190-76-6
Multi CAS
No
Molecular Formula
C15H26N6O2S
Molecular Weight
354.500000
Exact Mass
354.183795
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C15H26N6O2S/c16-21-18-9-5-1-4-8-17-13(22)7-3-2-6-12-14-11(10-24-12)19-15(23)20-14/h11-12,14H,1-10H2,(H,17,22)(H2,19,20,23)/t11-,12-,14-/m0/s1
InChIKey
HGHJIFNOKMTXHY-OBJOEFQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.87
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
3
Molar refractivity
94.83
TPSA
118.99

LogP / Solubility

WLOGP
2.31
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

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)
-3.24

Drug-likeness / Medicinal Chemistry

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

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