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CAS 515111-36-1 4-[3-(4-IODOPHENYL)-2-(2,4-DINITROPHENYL)-2H-5-TETRAZOLIO]-1,3-BENZENE DISULFONATE molecular structure lightbox
CAS RN: 515111-36-1

4-[3-(4-IODOPHENYL)-2-(2,4-DINITROPHENYL)-2H-5-TETRAZOLIO]-1,3-BENZENE DISULFONATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-158375
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 515111-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

515111-36-1 / sodium 4-[2-(2,4-dinitrophenyl)-3-(4-iodophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonate

Standard CAS: 515111-36-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
515111-36-1
Multi CAS
Yes
Molecular Formula
C19H10IN6NAO10S2
Molecular Weight
696.300000
Exact Mass
695.884220
InChI
InChI=1S/C19H11IN6O10S2.Na/c20-11-1-3-12(4-2-11)23-21-19(15-7-6-14(37(31,32)33)10-18(15)38(34,35)36)22-24(23)16-8-5-13(25(27)28)9-17(16)26(29)30;/h1-10H,(H-,31,32,33,34,35,36);/q;+1/p-1
InChIKey
LKVNWZJLLRMMAS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
23
Rotatable bonds
7
H-bond acceptors
13
Molar refractivity
130.28
TPSA
235.27

LogP / Solubility

WLOGP
-1.56
MLOGP
-1.31
XLogP3
-1.56
Consensus LogP
-1.48
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-8.07

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
4.5

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