CAS 31127-80-7 5-Acetamido-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide molecular structure

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CAS RN: 31127-80-7

5-Acetamido-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

Product code: SSC-136384

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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: 5g, 1g, 25g, 100g, 500g
Available purity: >97%
Inventory rows with stock: 2
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 31127-80-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	>97%	5 In Stock	Hong Kong	Inquiry
1g	>97%	4 In Stock	Beijing	Inquiry
25g	>97%	0 Out of Stock	Hong Kong	Inquiry
100g	>97%	0 Out of Stock	Beijing	Inquiry
500g	>97%	0 Out of Stock	Shanghai	Inquiry

31127-80-7 / 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Standard CAS: 31127-80-7 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

31127-80-7

Multi CAS

Yes

Molecular Formula

C16H20I3N3O7

Molecular Weight

747.060000

Exact Mass

746.843500

InChI

InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)

InChIKey

BHCBLTRDEYPMFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.44

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

129.75

TPSA

168.22

LogP / Solubility

WLOGP

-0.38

MLOGP

-0.26

XLogP3

-2.3

Consensus LogP

-0.98

Log S (ESOL)

-3.79

Class (ESOL)

Poorly soluble

Log S (Ali)

-5.42

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.28

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

Yes

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-7.54

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

3.5

Applications of CAS 31127-80-7

This compound is commonly used in pharmaceutical research and drug discovery, life science and biochemical research, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 31127-80-7 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.