[email protected]
CAS 2601437-72-1 SPDP-PEG12-NHS ester molecular structure lightbox
CAS RN: 2601437-72-1

SPDP-PEG12-NHS ester

  • Product code: SSC-122828
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 2601437-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

2601437-72-1 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2601437-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2601437-72-1
Multi CAS
No
Molecular Formula
C39H65N3O17S2
Molecular Weight
912.100000
Exact Mass
911.375540
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC2=CC=CC=N2
InChI
InChI=1S/C39H65N3O17S2/c43-35(7-34-60-61-36-3-1-2-8-41-36)40-9-11-48-13-15-50-17-19-52-21-23-54-25-27-56-29-31-58-33-32-57-30-28-55-26-24-53-22-20-51-18-16-49-14-12-47-10-6-39(46)59-42-37(44)4-5-38(42)45/h1-3,8H,4-7,9-34H2,(H,40,43)
InChIKey
PQUMQQHUIZYDPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
6
Fraction Csp3
0.77
Rotatable bonds
45
H-bond acceptors
20
H-bond donors
1
Molar refractivity
221.8
TPSA
216.43

LogP / Solubility

WLOGP
1.52
MLOGP
1.43
XLogP3
-1.9
Consensus LogP
0.35
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-8.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.25
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.2

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