[email protected]
CAS 1316189-13-5 MPEG8-NHS molecular structure lightbox
CAS RN: 1316189-13-5

MPEG8-NHS

  • Product code: SSC-038776
GET A QUOTE
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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1316189-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1316189-13-5 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1316189-13-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1316189-13-5
Multi CAS
No
Molecular Formula
C24H43NO13
Molecular Weight
553.600000
Exact Mass
553.273440
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C24H43NO13/c1-29-6-7-31-10-11-33-14-15-35-18-19-37-21-20-36-17-16-34-13-12-32-9-8-30-5-4-24(28)38-25-22(26)2-3-23(25)27/h2-21H2,1H3
InChIKey
PHNXKFXTQIHOCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.88
Rotatable bonds
28
H-bond acceptors
13
Molar refractivity
130.22
TPSA
146.75

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.17
XLogP3
-2.2
Consensus LogP
-0.87
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.42
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)
-6.27

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