[email protected]
CAS 2409964-23-2 PS-5505 molecular structure lightbox
CAS RN: 2409964-23-2

PS-5505

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 10mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-117440
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: ≥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 2409964-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

2409964-23-2 / (Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine;hydrochloride

Standard CAS: 2409964-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2409964-23-2
Multi CAS
No
Molecular Formula
C13H14ClFN2O2S
Molecular Weight
316.780000
Exact Mass
316.044855
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)C/C(=C/CN)/F)N=CC=C2.Cl
InChI
InChI=1S/C13H13FN2O2S.2ClH/c14-11(6-7-15)9-19(17,18)12-5-1-3-10-4-2-8-16-13(10)12;;/h1-6,8H,7,9,15H2;2*1H/b11-6-;;
InChIKey
YYYHSAUHJBNINZ-LEOXJOGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.29
TPSA
73.05

LogP / Solubility

WLOGP
2.24
MLOGP
1.99
XLogP3
2.24
Consensus LogP
2.16
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us