[email protected]
CAS 107348-47-0 N-succinimidyl-3-(2-pyridyldithio)butyrate molecular structure lightbox
CAS RN: 107348-47-0

N-succinimidyl-3-(2-pyridyldithio)butyrate

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 100mg Out of stock 8-10 business days Inquiry
Batchno.20260326 50mg Out of stock Inquiry
  • Product code: SSC-008951
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: 0.1g
  • Available purity: ＞97%
  • 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 107348-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry

107348-47-0 / (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)butanoate

N-Succinimidyl-3-(2-pyridyldithio)butyrate | RefChem:164216 | SPDB

Standard CAS: 107348-47-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107348-47-0
Multi CAS
Yes
Molecular Formula
C13H14N2O4S2
Molecular Weight
326.400000
Exact Mass
326.039499
SMILES
CC(CC(=O)ON1C(=O)CCC1=O)SSC2=CC=CC=N2
InChI
InChI=1S/C13H14N2O4S2/c1-9(20-21-10-4-2-3-7-14-10)8-13(18)19-15-11(16)5-6-12(15)17/h2-4,7,9H,5-6,8H2,1H3
InChIKey
VQZYZXLBKBUOHE-UHFFFAOYSA-N
Synonyms
N-Succinimidyl-3-(2-pyridyldithio)butyrate RefChem:164216 SPDB 2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfanyl)butanoate PPC-NHS ester

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
78.94
TPSA
76.57

LogP / Solubility

WLOGP
2.21
MLOGP
1.96
XLogP3
1.1
Consensus LogP
1.76
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
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
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us