CompoundList
Sign in
Screening compounds

Orb3216972

CAS 2411540-95-7Formula C26H19NO12Molar mass 537.43 g/mol
Get quotes Safety data
Orb3216972 chemical structure, C26H19NO12, CAS 2411540-95-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2411540-95-7
Formula
C26H19NO12
Molar mass
537.43 g/mol
HS code
292249
Category
Screening compounds

What is Orb3216972?

Plain description, key identifiers and synonyms

Orb3216972 is a chemical substance with the molecular formula C26H19NO12 and a molar mass of 537.43 g/mol. Its CAS registry number is 2411540-95-7. The IUPAC name is 5-[[3,5-dicarboxy-N-[(3,5-dicarboxyphenyl)methyl]anilino]methyl]benzene-1,3-dicarboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[[3,5-dicarboxy-N-[(3,5-dicarboxyphenyl)methyl]anilino]methyl]benzene-1,3-dicarboxylic acid
CAS number
2411540-95-7
Molecular formula
C26H19NO12
InChIKey
XNYJWLAZOYMDRJ-UHFFFAOYSA-N
InChI
InChI=1S/C26H19NO12/c28-21(29)14-1-12(2-15(5-14)22(30)31)10-27(20-8-18(25(36)37)7-19(9-20)26(38)39)11-13-3-16(23(32)33)6-17(4-13)24(34)35/h1-9H,10-11H2,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)
SMILES (canonical and isomeric)
C1=C(C=C(C=C1C(=O)O)C(=O)O)CN(CC2=CC(=CC(=C2)C(=O)O)C(=O)O)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
537.43 g/molcalc.
Exact mass
537.0907 Dacalc.
LogP (octanol/water)
3.08calc.
Topological polar surface area
227 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
11calc.
Heavy atoms
39calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.08calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1

c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1

3 rings, 21 atoms, the N,N-Dibenzylaniline ring system.

176 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Orb3216972 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Orb3216972 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb3216972 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Orb3216972 is traded under.

HS 2922.49Indicative HS code

Amino-acids, other than those containing more than one kind of oxygen function, and…

World exports in 2024
$3.88B
−11.5% vs 2023, imports $3.87B
2019 to 2024
Top exporters
  1. China38.7%
  2. India * partner reported8.3%
  3. Germany8.1%
Top importers
  1. United States13.4%
  2. Germany11.1%
  3. Japan6.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3216972 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3216972, based on the data on this page

What is Orb3216972?

Orb3216972 is a chemical substance with the molecular formula C26H19NO12 and a molar mass of 537.43 g/mol. Its CAS registry number is 2411540-95-7. The IUPAC name is 5-[[3,5-dicarboxy-N-[(3,5-dicarboxyphenyl)methyl]anilino]methyl]benzene-1,3-dicarboxylic acid.

What is the CAS number of Orb3216972?

The CAS registry number of Orb3216972 is 2411540-95-7.

What is the molecular formula and weight of Orb3216972?

The molecular formula of Orb3216972 is C26H19NO12 and its molar mass is 537.43 g/mol.

What is Orb3216972 used for?

Known uses and roles of Orb3216972 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3216972 hazardous?

No GHS hazard classification for Orb3216972 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb3216972?

Orb3216972 is usually classified under HS code 292249 (Amino-acids, other than those containing more than one kind of oxygen function, and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3216972?

Post a free request on CompoundList and suppliers of Orb3216972 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3216972?

Suppliers quote Orb3216972 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Orb3216972

Get quotes for Orb3216972

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb3216972
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Orb3216972 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/orb3216972-2411540-95-7" title="Orb3216972 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 292249

Price on request
Free quotes, contact stays private
Get quotes