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CAS 1384870-47-6 DBCO-C6-NHS ester molecular structure lightbox
CAS RN: 1384870-47-6

DBCO-C6-NHS ester

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 100mg Out of stock Inquiry
Batchno.20250604 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251103 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260405 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250328 1g In stock Shanghai Inquiry
Batchno.20251016 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250517 5g In stock Shanghai Inquiry
  • Product code: SSC-048486
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1384870-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry

1384870-47-6 / (2,5-dioxopyrrolidin-1-yl) 6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoate

Standard CAS: 1384870-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384870-47-6
Multi CAS
No
Molecular Formula
C25H22N2O5
Molecular Weight
430.500000
Exact Mass
430.152872
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C25H22N2O5/c28-22(11-5-6-12-25(31)32-27-23(29)15-16-24(27)30)26-17-20-9-2-1-7-18(20)13-14-19-8-3-4-10-21(19)26/h1-4,7-10H,5-6,11-12,15-17H2
InChIKey
CATTUKBAYDNTEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
115.7
TPSA
83.99

LogP / Solubility

WLOGP
3.1
MLOGP
2.76
XLogP3
2.5
Consensus LogP
2.79
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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