[email protected]
CAS 122647-32-9 Ibutilide Hemifumarate molecular structure lightbox
CAS RN: 122647-32-9

Ibutilide Hemifumarate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 25mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-025738
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: 0.25g
  • 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 122647-32-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

122647-32-9 / (E)-but-2-enedioic acid;bis(N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide)

Standard CAS: 122647-32-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122647-32-9
Multi CAS
No
Molecular Formula
C44H76N4O10S2
Molecular Weight
885.200000
Exact Mass
884.500287
SMILES
CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey
PCIOHQNIRPWFMV-WXXKFALUSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
12
Fraction Csp3
0.64
Rotatable bonds
30
H-bond acceptors
10
H-bond donors
6
Molar refractivity
244.36
TPSA
213.88

LogP / Solubility

WLOGP
8.04
MLOGP
7.16
XLogP3
8.04
Consensus LogP
7.75
Log S (ESOL)
-8.56
Class (ESOL)
Insoluble
Log S (Ali)
-12.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

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
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us