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Heterocyclic compounds

Cy5.5

CAS 210892-23-2Formula C41H44N2O14S4Molar mass 917.07 g/mol
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Cy5.5 chemical structure, C41H44N2O14S4, CAS 210892-23-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
210892-23-2
Formula
C41H44N2O14S4
Molar mass
917.07 g/mol
HS code
293399
Category
Heterocyclic compounds

What is Cy5.5?

Plain description, key identifiers and synonyms

Cy5.5 is a chemical substance with the molecular formula C41H44N2O14S4 and a molar mass of 917.07 g/mol. Its CAS registry number is 210892-23-2. The IUPAC name is (2Z)-2-[(2E,4E)-5-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-ethyl-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2Z)-2-[(2E,4E)-5-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-ethyl-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate
CAS number
210892-23-2
Molecular formula
C41H44N2O14S4
InChIKey
LIZDKDDCWIEQIN-UHFFFAOYSA-N
InChI
InChI=1S/C41H44N2O14S4/c1-6-42-31-18-16-27-29(21-25(58(46,47)48)23-33(27)60(52,53)54)38(31)40(2,3)35(42)13-9-7-10-14-36-41(4,5)39-30-22-26(59(49,50)51)24-34(61(55,56)57)28(30)17-19-32(39)43(36)20-12-8-11-15-37(44)45/h7,9-10,13-14,16-19,21-24H,6,8,11-12,15,20H2,1-5H3,(H4-,44,45,46,47,48,49,50,51,52,53,54,55,56,57)
Canonical SMILES
CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc21
Isomeric SMILES
CCN\1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)[O-])C(/C1=C/C=C/C=C/C4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)CCCCCC(=O)O)(C)C

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
917.07 g/molcalc.
Exact mass
916.1675 Dacalc.
LogP (octanol/water)
6.47calc.
Topological polar surface area
263.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
14calc.
Heavy atoms
61calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (3 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, C(=CC=C1Cc2c(ccc3ccccc23)N1)C=CC1=Nc2ccc3ccccc3c2C1

C(=CC=C1Cc2c(ccc3ccccc23)N1)C=CC1=Nc2ccc3ccccc3c2C1

6 rings, 31 atoms.

64 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.

Cy5.5 suppliers

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

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 0 countries

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Cy5.5 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.

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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 Cy5.5 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Cy5.5 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cy5.5, based on the data on this page

What is Cy5.5?

Cy5.5 is a chemical substance with the molecular formula C41H44N2O14S4 and a molar mass of 917.07 g/mol. Its CAS registry number is 210892-23-2.

What is the CAS number of Cy5.5?

The CAS registry number of Cy5.5 is 210892-23-2.

What is the molecular formula and weight of Cy5.5?

The molecular formula of Cy5.5 is C41H44N2O14S4 and its molar mass is 917.07 g/mol.

Is Cy5.5 hazardous?

No GHS hazard classification for Cy5.5 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 Cy5.5?

Cy5.5 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cy5.5?

CompoundList lists 1 supplier of Cy5.5. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cy5.5?

Suppliers quote Cy5.5 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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