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CAS 2110449-00-6 N-DBCO-N-bis(PEG2-acid) molecular structure lightbox
CAS RN: 2110449-00-6

N-DBCO-N-bis(PEG2-acid)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-100666
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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: 0.25g
  • 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 2110449-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

2110449-00-6 / 3-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]-[2-[2-(2-carboxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]propanoic acid

Standard CAS: 2110449-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2110449-00-6
Multi CAS
No
Molecular Formula
C33H40N2O10
Molecular Weight
624.700000
Exact Mass
624.268295
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)N(CCOCCOCCC(=O)O)CCOCCOCCC(=O)O
InChI
InChI=1S/C33H40N2O10/c36-30(11-12-31(37)35-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)35)34(15-19-44-23-21-42-17-13-32(38)39)16-20-45-24-22-43-18-14-33(40)41/h1-8H,11-25H2,(H,38,39)(H,40,41)
InChIKey
SQZXTKBMAFTQDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
21
H-bond acceptors
8
H-bond donors
2
Molar refractivity
163.65
TPSA
152.14

LogP / Solubility

WLOGP
2.56
MLOGP
2.3
XLogP3
0.6
Consensus LogP
1.82
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.71

Drug-likeness / Medicinal Chemistry

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

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