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CAS 412319-45-0 6-FAM-PEG3-Azide molecular structure lightbox
CAS RN: 412319-45-0

6-FAM-PEG3-Azide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 5mg In stock Shanghai Inquiry
  • Product code: SSC-149659
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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 412319-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

412319-45-0 / N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxamide

Standard CAS: 412319-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
412319-45-0
Multi CAS
No
Molecular Formula
C29H28N4O9
Molecular Weight
576.600000
Exact Mass
576.185628
InChI
InChI=1S/C29H28N4O9/c30-33-32-8-10-39-12-14-40-13-11-38-9-7-31-27(36)18-1-4-21-24(15-18)29(42-28(21)37)22-5-2-19(34)16-25(22)41-26-17-20(35)3-6-23(26)29/h1-6,15-17,34-35H,7-14H2,(H,31,36)
InChIKey
PKYHWLLVYRCZEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
13
H-bond acceptors
10
H-bond donors
3
Molar refractivity
146.83
TPSA
181.54

LogP / Solubility

WLOGP
3.76
MLOGP
3.35
XLogP3
3.2
Consensus LogP
3.44
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.57

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
6

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