[email protected]
CAS 141647-62-3 1 4-BIS(3-(2-PYRIDYLDITHIO)PROPIONAMIDO) molecular structure lightbox
CAS RN: 141647-62-3

1 4-BIS(3-(2-PYRIDYLDITHIO)PROPIONAMIDO)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250602 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251229 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20250928 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260209 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250125 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS141647-62-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

141647-62-3 / 3-(pyridin-2-yldisulfanyl)-N-[4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butyl]propanamide

Standard CAS: 141647-62-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141647-62-3
Multi CAS
No
Molecular Formula
C20H26N4O2S4
Molecular Weight
482.700000
Exact Mass
482.093861
SMILES
C1=CC=NC(=C1)SSCCC(=O)NCCCCNC(=O)CCSSC2=CC=CC=N2
InChI
InChI=1S/C20H26N4O2S4/c25-17(9-15-27-29-19-7-1-3-13-23-19)21-11-5-6-12-22-18(26)10-16-28-30-20-8-2-4-14-24-20/h1-4,7-8,13-14H,5-6,9-12,15-16H2,(H,21,25)(H,22,26)
InChIKey
JMUAKWNHKQBPGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
2
Molar refractivity
129.59
TPSA
83.98

LogP / Solubility

WLOGP
4.45
MLOGP
3.95
XLogP3
2.4
Consensus LogP
3.6
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us