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CAS 409344-71-4 PSB 1115 POTASSIUM SALT molecular structure lightbox
CAS RN: 409344-71-4

PSB 1115 POTASSIUM SALT

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 10mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-149335
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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
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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 409344-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

409344-71-4 / potassium 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonate

Standard CAS: 409344-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
409344-71-4
Multi CAS
Yes
Molecular Formula
C14H13KN4O5S
Molecular Weight
388.440000
Exact Mass
388.024372
InChI
InChI=1S/C14H14N4O5S.K/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23;/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23);/q;+1/p-1
InChIKey
CJOWSBOERSTJAR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
84.66
TPSA
140.74

LogP / Solubility

WLOGP
-2.6
MLOGP
-2.27
XLogP3
-2.6
Consensus LogP
-2.49
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.94

Drug-likeness / Medicinal Chemistry

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

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