[email protected]
CAS 2183440-34-6 Methyltetrazine-PEG8-NHS ester molecular structure lightbox
CAS RN: 2183440-34-6

Methyltetrazine-PEG8-NHS ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260419 5mg Out of stock Inquiry
  • Product code: starshine_CAS2183440-34-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2183440-34-6 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2183440-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2183440-34-6
Multi CAS
No
Molecular Formula
C32H47N5O13
Molecular Weight
709.700000
Exact Mass
709.317037
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C32H47N5O13/c1-26-33-35-32(36-34-26)27-2-4-28(5-3-27)49-25-24-48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-31(40)50-37-29(38)6-7-30(37)39/h2-5H,6-25H2,1H3
InChIKey
HBEBYIRKMRTDSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.66
Rotatable bonds
30
H-bond acceptors
17
Molar refractivity
171.64
TPSA
198.31

LogP / Solubility

WLOGP
0.75
MLOGP
0.72
XLogP3
-1.6
Consensus LogP
-0.04
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us