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Nitriles, nitro and azo compounds

Orb2665535

CAS 65891-87-4Formula C34H34N2Na2O14S2Molar mass 804.76 g/mol
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Orb2665535 chemical structure, C34H34N2Na2O14S2, CAS 65891-87-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65891-87-4
Formula
C34H34N2Na2O14S2
Molar mass
804.76 g/mol
HS code
292529
Category
Nitriles, nitro and azo compounds

What is Orb2665535?

Plain description, key identifiers and synonyms

Orb2665535 is a chemical substance with the molecular formula C34H34N2Na2O14S2 and a molar mass of 804.76 g/mol. Its CAS registry number is 65891-87-4. The IUPAC name is disodium, 2-[[6-methyl-2,3,5,8-tetraoxo-4-propan-2-yl-7-[1,4,6,7-tetrahydroxy-3-methyl-5-propan-2-yl-8-(2-sulfonatoethyliminomethyl)naphthalen-2-yl]naphthalen-1-yl]methylideneamino]ethanesulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, 2-[[6-methyl-2,3,5,8-tetraoxo-4-propan-2-yl-7-[1,4,6,7-tetrahydroxy-3-methyl-5-propan-2-yl-8-(2-sulfonatoethyliminomethyl)naphthalen-2-yl]naphthalen-1-yl]methylideneamino]ethanesulfonate
CAS number
65891-87-4
Molecular formula
C34H34N2Na2O14S2
InChIKey
UBBIZPCSSKTJTA-UHFFFAOYSA-L
InChI
InChI=1S/C34H36N2O14S2.2Na/c1-13(2)19-25-23(17(29(39)33(19)43)11-35-7-9-51(45,46)47)31(41)21(15(5)27(25)37)22-16(6)28(38)26-20(14(3)4)34(44)30(40)18(24(26)32(22)42)12-36-8-10-52(48,49)50;;/h11-14,37,39,41,43H,7-10H2,1-6H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
SMILES (canonical and isomeric)
CC1=C(C(=C2C(=C(C(=C(C2=C1O)C(C)C)O)O)C=NCCS(=O)(=O)[O-])O)C3=C(C(=O)C4=C(C(=O)C(=O)C(=C4C3=O)C=NCCS(=O)(=O)[O-])C(C)C)C.[Na+].[Na+]

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
804.76 g/molcalc.
Exact mass
804.1247 Dacalc.
LogP (octanol/water)
-4.45calc.
Topological polar surface area
288.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
11calc.
Heavy atoms
54calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
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, O=c1cc(-c2ccc3ccccc3c2)c(=O)c2cc(=O)c(=O)cc1-2

O=c1cc(-c2ccc3ccccc3c2)c(=O)c2cc(=O)c(=O)cc1-2

4 rings, 24 atoms.

3 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.

Orb2665535 suppliers

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Orb2665535 price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb2665535 is traded under.

HS 2925.29Indicative HS code

Imines and their derivatives, salts thereof, other

World exports in 2024
$1.8B
+12.4% vs 2023, imports $1.84B
2019 to 2024
Top exporters
  1. China35.9%
  2. France * partner reported15.5%
  3. Germany9.1%
Top importers
  1. United States13.3%
  2. China13.0%
  3. Brazil9.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2665535 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2665535, based on the data on this page

What is Orb2665535?

Orb2665535 is a chemical substance with the molecular formula C34H34N2Na2O14S2 and a molar mass of 804.76 g/mol. Its CAS registry number is 65891-87-4.

What is the CAS number of Orb2665535?

The CAS registry number of Orb2665535 is 65891-87-4.

What is the molecular formula and weight of Orb2665535?

The molecular formula of Orb2665535 is C34H34N2Na2O14S2 and its molar mass is 804.76 g/mol.

Is Orb2665535 hazardous?

No GHS hazard classification for Orb2665535 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 Orb2665535?

Orb2665535 is usually classified under HS code 292529 (Imines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2665535?

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What is the price of Orb2665535?

Suppliers quote Orb2665535 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

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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